SCHEMBL289636

SCHEMBL289636

CC(C)(C)OC(=O)Nc1cnc(Br)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NAMPT P43490 2/20 0.40
CYP17A1 P05093 1/20 0.39
ATR Q13535 1/20 0.39
PSMB8 P28062 1/20 0.37
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
FPR3 P25089 2/20 0.37
FPR2 P25090 2/20 0.37
METAP1 P53582 1/20 0.37
HDAC3 O15379 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14507524 0.84 CA1 (0.41) LCKCA1CA2NAMPTCYP17A1
SCHEMBL25406465 0.83 CA1 (0.40) LCKCA1CA2NAMPTCYP17A1
SCHEMBL13955004 0.83 ATR (0.41) LCKCA1CA2NAMPTCYP17A1
SCHEMBL19455034 0.83 CA1 (0.43) LCKCA1CA2NAMPTCYP17A1
SCHEMBL23165117 0.81 ATR (0.46) LCKCA1CA2NAMPTCYP17A1
SCHEMBL15235889 0.80 CYP17A1 (0.39) LCKCA1CA2NAMPTCYP17A1
SCHEMBL3114014 0.80 CA1 (0.42) LCKCA1CA2NAMPTCYP17A1
SCHEMBL18071028 0.80 CA1 (0.39) LCKCA1CA2NAMPTCYP17A1
SCHEMBL3102171 0.79 CA1 (0.38) LCKCA1CA2NAMPTCYP17A1
SCHEMBL29803713 0.79 NAMPT (0.49) CA1CA2NAMPTHDAC1HDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041730-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2026-05-13 EP disclosed
US-12545649-B2 WDR5-MYC inhibitors VANDERBILT UNIVERSITY (US) 2026-02-10 US disclosed
US-20250346585-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2025-11-13 US disclosed
US-20250338846-A1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE, LLC (US) 2025-11-06 US disclosed
US-12448395-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2025-10-21 US disclosed
EP-4619406-A1 TRICYCLIC COMPOUNDS Schrödinger, Inc. (US) 2025-09-24 EP disclosed
EP-4525618-A2 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2025-03-26 EP disclosed
CN-114761404-B Substituted bicyclic heteroaryl compounds 百时美施贵宝公司 2025-02-21 CN disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
US-20240124489-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-04-18 US disclosed
EP-2173728-A2 HETEROCYCLIC MODULATORS OF PKB Amgen Inc. (US) 2010-04-14 EP disclosed
EP-2170892-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2010-04-07 EP disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 US disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 US disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 US disclosed
WO-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 WO disclosed
WO-2009011880-A2 HETEROCYCLIC MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed
WO-2009011880-A2 HETEROCYCLIC MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed
WO-2008156614-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-12-24 WO disclosed
WO-2008156614-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-12-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250338846-A1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO ACHE, DDT, PLA2G2D LCK 1463/4885CA1 2225/4885CA2 859/4885
US-20240124489-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS TLR7, TLR1, TLR9 LCK 205/4885CA1 4425/4885CA2 3796/4885
US-12545649-B2 WDR5-MYC inhibitors MYC, MYCBP, WDR1 LCK 3616/4885CA1 4372/4885CA2 3178/4885
US-20090275592-A1 Heterocyclic modulators of PKB MTOR, PDK1, EIF4EBP1 LCK 851/4885CA1 4332/4885CA2 2961/4885
US-20250346585-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS C5, C1S, C9 LCK 2160/4885CA1 4723/4885CA2 4475/4885
US-12448395-B2 Substituted bicyclic heteroaryl compounds TLR7, TLR1, TLR9 LCK 205/4885CA1 4425/4885CA2 3796/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.