SCHEMBL6644306

SCHEMBL6644306

CC(C)(C)OC(=O)Nc1cnc(F)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.40
CYP17A1 P05093 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
METAP1 P53582 1/20 0.39
ATR Q13535 1/20 0.38
SYK P43405 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
BRD4 O60885 1/20 0.36
P2RX3 P56373 1/20 0.36
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
DHODH Q02127 2/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
S1PR3 Q99500 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL14032205 0.88 ATR (0.48) BRD9CYP17A1RXFP1METAP1ATR
SCHEMBL535674 0.84 ATR (0.44) BRD9RXFP1METAP1ATRAAK1
SCHEMBL29870494 0.84 ATR (0.44) BRD9RXFP1METAP1ATRAAK1
SCHEMBL17336530 0.83 AAK1 (0.42) BRD9CYP17A1RXFP1METAP1ATR
SCHEMBL6217868 0.82 KMT2A (0.40) BRD9RXFP1METAP1ATRAAK1
SCHEMBL29589580 0.82 KMT2A (0.40) BRD9RXFP1METAP1ATRAAK1
SCHEMBL25297301 0.82 ATR (0.41) BRD9CYP17A1RXFP1METAP1ATR
SCHEMBL594117 0.82 CYP17A1 (0.40) BRD9CYP17A1RXFP1METAP1ATR
SCHEMBL30276680 0.82 ATR (0.41) BRD9CYP17A1RXFP1METAP1ATR
SCHEMBL15583603 0.82 AAK1 (0.41) BRD9CYP17A1RXFP1METAP1ATR

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 30 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
EP-4097140-A1 USE OF QUINAZOLINE-BASED TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCERS WITH NRG1 FUSIONS Board of Regents, The University of Texas System (US) 2022-12-07 EP disclosed
US-20220194940-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-06-23 US disclosed
WO-2021155144-A1 USE OF QUINAZOLINE-BASED TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCERS WITH NRG1 FUSIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-08-05 WO disclosed
WO-2020219906-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-29 WO disclosed
WO-2018137610-A1 SUBSTITUTED 1-(ISOXAZOLE-3-YL)-3-(3-FLUORINE-4-PHENYL)UREA DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川大学 2018-08-02 WO disclosed
EP-2406262-B1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2016-02-17 EP disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
EP-1171440-A1 SUBSTITUTED-3-CYANO-[1.7],[1.5], AND [1.8]-NAPHTHYRIDINE INHIBITORS OF TYROSINE KINASES American Cyanamid Company (US) 2002-01-16 EP 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
WO-2000066583-A1 SUBSTITUTED 3-CYANO-[1.7], [1.5], AND [1.8]-NAPHTHYRIDINE INHIBITORS OF TYROSINE KINASES AMERICAN CYANAMID COMPANY (US) 2000-11-09 WO 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 (3 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-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 BRD9 1704/4885CYP17A1 1048/4885RXFP1 677/4885
US-20220194940-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE ERBB2, ERBB3, EGFR BRD9 1183/4885CYP17A1 4064/4885RXFP1 4170/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K BRD9 1420/4885CYP17A1 2241/4885RXFP1 1199/4885

“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.