SCHEMBL392294

SCHEMBL392294

CC(C)(C)OC(=O)Nc1ccc(F)nc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
CYP17A1 P05093 2/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
PSMB8 P28062 1/20 0.45
MAPKAPK2 P49137 6/20 0.44
MAP4K4 O95819 1/20 0.44
SYK P43405 1/20 0.44
RORC P51449 3/20 0.43
ATR Q13535 1/20 0.41

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
SCHEMBL29491458 1.00 NAMPT (0.51) NAMPTKCNQ3KCNQ2CYP17A1CA12
SCHEMBL12186052 0.85 CYP17A1 (0.46) NAMPTCYP17A1PSMB8MAPKAPK2MAP4K4
SCHEMBL18654067 0.85 GAA (0.45) NAMPTKCNQ3KCNQ2CYP17A1MAPKAPK2
SCHEMBL31129256 0.83 KCNQ3 (0.53) KCNQ3KCNQ2
SCHEMBL14155358 0.83 CA1 (0.51) CA1
SCHEMBL6609814 0.83 NAMPT (0.52) NAMPTCYP17A1CA12CA1CA9
SCHEMBL31378805 0.83 KCNQ3 (0.53) NAMPTKCNQ3KCNQ2CYP17A1MAPKAPK2
SCHEMBL30208803 0.83 NAMPT (0.56) NAMPTKCNQ3KCNQ2CYP17A1CA12
SCHEMBL376258 0.83 NAMPT (0.56) NAMPTKCNQ3KCNQ2CYP17A1CA12
SCHEMBL535403 0.83 KCNQ3 (0.53) NAMPTKCNQ3KCNQ2CYP17A1MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family BRIDGES ALEXANDER JAMES (US) 2001-10-04 US claimed
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-10-26 US disclosed
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-10-26 US disclosed
US-20220194940-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-06-23 US disclosed
CN-109843886-B Bicyclic pyridone lactams and methods of use thereof 豪夫迈·罗氏有限公司 2022-04-19 CN disclosed
EP-3526219-B1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
US-20210163475-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-03 US disclosed
US-10947226-B2 Bicyclic pyridone lactams and methods of use thereof GENENTECH, INC. (US) 2021-03-16 US disclosed
WO-2020219906-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-29 WO disclosed
US-20190241565-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-08 US disclosed
US-6521620-B1 Suppressing tumors, especially breast cancers; antiproli-ferative agents; arthritis, vascular restenosis, psoriasis and angiogenesis; extremely low cytotoxicity WARNER-LAMBERT COMPANY 2003-02-18 US disclosed
US-6455534-B2 ANTIPROLIVERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; MITOGENESIS-ACTIVATED PROTEIN KINASE INHIBITORS; NONCYTOTOXIC; BINDING WITH HIGH AFFINITY AT THE ADENOSINE TRIPHOSPHATE BINDING SITE OF THE KINASES WARNER-LAMBERT COMPANY 2002-09-24 US disclosed
US-6313292-B1 REACTION FROM 5-AMINO-2-FLUOROPYRIDINE; AMINATION, CYCLIZATION, CHLORINATION, SALT FORMATION, DECHLORINATION, DEBLOCKING WARNER-LAMBERT COMPANY 2001-11-06 US disclosed
US-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family BRIDGES ALEXANDER JAMES (US) 2001-10-04 US disclosed
US-6265410-B1 ANTICARCINOGENIC AGENTS WARNER-LAMBERT COMPANY 2001-07-24 US disclosed
US-6084095-A INCLUDING 6-AMINO-4-(3-BROMOANILINO)PYRIDO(3,2-D)PYRIMIDINE; 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO (3,2-D)PYRIMIDINE; AND 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO(3,2-D)PYRIMIDINE; USEFUL IN TREATING PROLIFERATIVE DISEASES SUCH AS CANCER WARNER-LAMBERT COMPANY (US) 2000-07-04 US disclosed
US-5654307-A ANTICARCINOGENIC AGENTS, ANTIARTHRITIC AGENT, SKIN DISORDERS WARNER-LAMBERT COMPANY (US) 1997-08-05 US disclosed
WO-1997026259-A1 IMPROVED PROCESS FOR PREPARING 4,6-DISUBSTITUTED PYRIDO[3,4-d]PYRIMIDINES WARNER-LAMBERT COMPANY (US) 1997-07-24 WO disclosed
EP-0742717-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-20 EP disclosed
WO-1995019774-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 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-20210163475-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF CYP3A5, C5, PDXK NAMPT 658/4885KCNQ3 3242/4885KCNQ2 2465/4885
US-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 NAMPT 2920/4885KCNQ3 4789/4885KCNQ2 4703/4885
US-10947226-B2 Bicyclic pyridone lactams and methods of use thereof CYP3A5, C5, PDXK NAMPT 658/4885KCNQ3 3242/4885KCNQ2 2465/4885
US-20220194940-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE ERBB2, ERBB3, EGFR NAMPT 1162/4885KCNQ3 4772/4885KCNQ2 4775/4885
US-20190241565-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF CYP3A5, C5, PDXK NAMPT 658/4885KCNQ3 3242/4885KCNQ2 2465/4885
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF CYP1B1, CYP4B1, CYP2C19 NAMPT 422/4885KCNQ3 1565/4885KCNQ2 1027/4885

“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.