{"id":"W4293568845","doi":"10.1002/cmdc.202200343","title":"Discovery of Benzo[<i>d</i>]imidazole‐6‐sulfonamides as Bromodomain and Extra‐Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain","year":2022,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Protein Degradation and Inhibitors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Medical Research Council; Takeda Pharmaceuticals U.S.A.; Università degli Studi di Salerno; Regione Campania; Canada Foundation for Innovation; Ontario Ministry of Economic Development and Innovation; Wellcome Trust; AbbVie; Ministero dell’Istruzione, dell’Università e della Ricerca; Genome Canada; Pfizer; Biotechnology and Biological Sciences Research Council; Boehringer Ingelheim","keywords":"Bromodomain; BRD4; Chemistry; Selectivity; Drug discovery; Combinatorial chemistry; Stereochemistry; Biochemistry; Histone; DNA","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002079959,0.000359131,0.0002697686,0.0001543462,0.0001139294,0.0001818497,0.000298573,0.0002013846,0.0007325289],"category_scores_gemma":[0.0001256984,0.0001412269,0.000168756,0.0001574101,0.0001449783,0.0001721439,0.0001322952,0.0003291609,0.0003225395],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003819469,"about_ca_system_score_gemma":0.0002832264,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006318586,"about_ca_topic_score_gemma":0.001883183,"domain_scores_codex":[0.9999136,0.00002109796,0.000005725262,0.000011721,0.00002092864,0.00002694117],"domain_scores_gemma":[0.9999557,0.000005221021,0.00001221023,0.000002537993,0.000009537434,0.00001491694],"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":[0.0002837123,0.0001589144,0.0002968771,0.0001261077,0.00001330086,0.0001164737,0.00004788595,0.0009210025,0.9865174,0.0008699158,0.0002594508,0.01038897],"study_design_scores_gemma":[0.0002466989,0.002625124,0.002155503,0.00001603763,0.00003226092,0.0003404796,0.00002485889,0.002678754,0.9808264,0.0001077196,0.01092567,0.00002047049],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9775179,0.006179926,0.008338721,0.0002038686,0.00006475642,0.0002551189,0.0004028012,0.000166404,0.006870491],"genre_scores_gemma":[0.9828292,0.004457348,0.008864365,0.0001104426,0.0000248614,0.0001004859,0.0004573184,0.0000149522,0.003141172],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007325289,"threshold_uncertainty_score":0.002771258,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006987493011759631,"score_gpt":0.2151539349773064,"score_spread":0.2081664419655468,"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."}}