{"id":"W2136996386","doi":"10.1021/acsmedchemlett.5b00124","title":"Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2","year":2015,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Epigenetics and DNA Methylation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":65,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; University of Toronto; Ontario Institute for Cancer Research","funders":"Structural Genomics Consortium; Ministero dello Sviluppo Economico; Ontario Ministry of Economic Development and Innovation; Wellcome Trust; Ontario Genomics; Genome Canada; Ontario Genomics Institute; AbbVie; University of Toronto; GlaxoSmithKline; Pfizer; Eli Lilly and Company","keywords":"Methyltransferase; Lysine; Methylation; Small molecule; IC50; Potency; Chemistry; Pharmacology; Computational biology; Medicine; Biochemistry; Biology; In vitro; Amino acid","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001077407,0.0001899051,0.0002142439,0.0001637261,0.0001270238,0.000220065,0.0002204852,0.0002123536,0.0006866261],"category_scores_gemma":[0.00009690338,0.0001151275,0.0002068457,0.0001562239,0.0001540243,0.0001554129,0.0001665895,0.0004846864,0.0003710178],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003160109,"about_ca_system_score_gemma":0.0002977758,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009093297,"about_ca_topic_score_gemma":0.001805801,"domain_scores_codex":[0.9999613,0.00000562546,0.000002479404,0.000007948034,0.00001246206,0.00001009004],"domain_scores_gemma":[0.9999635,0.000004502735,0.000008465606,0.000002897278,0.000008085282,0.00001254263],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001696412,0.00008151058,0.0003829688,0.00008032688,0.00001689468,0.0001550219,0.00002700207,0.000701574,0.9830508,0.001077595,0.0003374055,0.01391917],"study_design_scores_gemma":[0.0001855463,0.001319099,0.004498905,0.00001544683,0.00003582706,0.0005030124,0.00002127557,0.002793259,0.975298,0.0003973123,0.01491605,0.00001619224],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9685069,0.007123235,0.01381875,0.0005456656,0.0000673916,0.0002018791,0.001134272,0.0002019082,0.008399932],"genre_scores_gemma":[0.9878755,0.004000651,0.004635836,0.00009843825,0.00001324648,0.00003456872,0.0006273167,0.00001433765,0.002700209],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009093297,"threshold_uncertainty_score":0.002296984,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0145480924302428,"score_gpt":0.2465023833801017,"score_spread":0.2319542909498589,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}