{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002180621,0.000196807,0.0002985912,0.00003250153,0.0000184571,0.000006802547,0.0001937835,0.0001472118,0.00001046138],"category_scores_gemma":[0.0001274225,0.0001850336,0.0001079453,0.0001370184,0.0001693348,0.000009805911,0.00005657097,0.0001273387,0.000001058432],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002429393,"about_ca_system_score_gemma":0.00021033,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001391993,"about_ca_topic_score_gemma":0.000004287989,"domain_scores_codex":[0.9987013,0.00003797168,0.0003890823,0.0003083101,0.0003562841,0.0002070601],"domain_scores_gemma":[0.9991009,0.00002925961,0.0002011913,0.0003610324,0.0001344355,0.0001731707],"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":[0.0002790091,0.00008502258,0.0005611794,0.0001115666,0.00006447636,0.000006073552,0.0002355068,0.00009876375,0.996725,0.000001944419,0.001108104,0.0007234012],"study_design_scores_gemma":[0.001395404,0.0001903488,0.0002775488,0.00004405152,0.00008672935,0.000003919601,0.000256018,0.000005667801,0.9964294,0.00004111264,0.001096024,0.0001737657],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.989811,0.001682064,0.0068187,0.0006190208,0.0001154345,0.0001056284,0.00003664707,0.000005458784,0.0008060717],"genre_scores_gemma":[0.9979239,0.0001462623,0.0007224385,0.0001662865,0.0005368837,0.000004739928,0.0002236598,0.0000231058,0.0002527089],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00811294,"threshold_uncertainty_score":0.754545,"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."}}