{"id":"W2097979965","doi":"10.1021/jm800251w","title":"Discovery of <i>N</i>-(2-Aminophenyl)-4-[(4-pyridin-3-ylpyrimidin-2-ylamino)methyl]benzamide (MGCD0103), an Orally Active Histone Deacetylase Inhibitor","year":2008,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Histone Deacetylase Inhibitors Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":108,"is_retracted":false,"has_abstract":true,"ca_institutions":"Pyrogenesis (Canada)","funders":"Pharmacyclics","keywords":"Benzamide; Chemistry; Orally active; Histone deacetylase inhibitor; Histone deacetylase; Stereochemistry; Pharmacology; Biochemistry; Histone; In vitro","routes":{"ca_aff":true,"ca_fund":false,"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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0009442822,0.0004868687,0.0008853342,0.0001830225,0.0001848183,0.00002219766,0.0008544644,0.0004807544,0.00008569512],"category_scores_gemma":[0.001152153,0.0004396387,0.0004695589,0.0003195349,0.000979442,0.00008641588,0.0002150159,0.0009927877,0.000006144617],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002953838,"about_ca_system_score_gemma":0.001550615,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005357028,"about_ca_topic_score_gemma":0.00001178919,"domain_scores_codex":[0.9957764,0.0001980194,0.001343589,0.00056723,0.001485439,0.0006293785],"domain_scores_gemma":[0.9964145,0.0001134429,0.001141864,0.0007719894,0.0009851168,0.0005731044],"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":[0.001893259,0.0006315755,0.0003019889,0.0002047126,0.000184314,0.000592078,0.0003879888,0.00004391061,0.9834369,0.000003417777,0.01107834,0.001241474],"study_design_scores_gemma":[0.002552418,0.001547609,0.0006482425,0.0002140016,0.0001064258,0.001960771,0.0008045522,0.00001813139,0.9879307,0.00002894618,0.003777784,0.0004104048],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9942361,0.002890895,0.0003694765,0.0002400298,0.0004402075,0.0001710887,0.00006774776,0.00001263974,0.001571881],"genre_scores_gemma":[0.9934278,0.0007453564,0.000937017,0.0001575478,0.002419287,0.000009195769,0.00009117766,0.00008109242,0.002131579],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007300552,"threshold_uncertainty_score":0.9998055,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01822849253475215,"score_gpt":0.2979446901774546,"score_spread":0.2797161976427024,"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."}}