{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004835632,0.0002547834,0.0002397795,0.00004860975,0.0004856907,0.00004947148,0.0003016767,0.00009839762,0.00001772019],"category_scores_gemma":[0.000118774,0.0001970481,0.0001307264,0.0001875575,0.0003500358,0.00002214853,0.0002969407,0.0001884628,5.74224e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005525025,"about_ca_system_score_gemma":0.0001603136,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005320884,"about_ca_topic_score_gemma":0.00008111766,"domain_scores_codex":[0.9985326,0.00006448083,0.0002830478,0.0004834938,0.0003058513,0.0003305484],"domain_scores_gemma":[0.9991136,0.0001322906,0.0002090511,0.0004117479,0.00005997565,0.00007332208],"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":[0.001119121,0.0002633572,0.002394526,0.0001303759,0.0001671414,0.000008507353,0.0003499053,0.00007568057,0.9842083,0.001046895,0.008030543,0.002205686],"study_design_scores_gemma":[0.001256848,0.0006919652,0.001400018,0.00002760784,0.00004143646,0.000134114,0.0005608305,0.00007433938,0.9716126,0.000750066,0.02315848,0.0002916802],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9947197,0.0008728672,0.00212775,0.0009297043,0.00009957552,0.0007007518,0.0001078245,0.00001716048,0.000424708],"genre_scores_gemma":[0.9976061,0.00004254948,0.0007153051,0.0003341996,0.0002133011,0.000411463,0.0001032943,0.0000436726,0.0005300926],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01512794,"threshold_uncertainty_score":0.8035389,"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."}}