SCHEMBL1137136

SCHEMBL1137136

CC(C)(C)OC(=O)Nc1ccc(Cc2ccnc(N)c2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.47
MET P08581 2/20 0.41
MAP4K4 O95819 1/20 0.41
MAPKAPK2 P49137 6/20 0.39
MAPK14 Q16539 1/20 0.39
SYK P43405 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38

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
SCHEMBL2255506 0.83 GABRP (0.47) METGABRPGABRDGABRA1GABRB1
SCHEMBL9376173 0.79 MAP4K4 (0.49) CYP17A1MAP4K4MAPKAPK2AAK1SREBF2
SCHEMBL1137073 0.77 MET (0.66) MET
SCHEMBL24167299 0.77 EGLN2 (0.43) CYP17A1METMAP4K4MAPK14SYK
SCHEMBL28770642 0.77 GABRP (0.38) METMAPK14GABRPGABRDGABRA1
SCHEMBL23637704 0.76 CYP17A1 (0.47) CYP17A1MAPK14AAK1
SCHEMBL18295364 0.75 CA1 (0.42) CYP17A1MAP4K4MAPKAPK2SYKRET
SCHEMBL1137300 0.74 MET (0.67) MET
SCHEMBL1137415 0.74 GABRP (0.42) MAPK14GABRPGABRDGABRA1GABRB1
SCHEMBL13193090 0.74 CA12 (0.47) CYP17A1MAP4K4MAPKAPK2SYKCA12

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128199-B Monocyclic heterocycles as kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-07-24 CN disclosed
US-7989477-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 US disclosed
US-7989477-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 US disclosed
EP-1737451-B1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
EP-1737451-B1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-7714138-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 US disclosed
US-7714138-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 US disclosed
US-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-26 US disclosed
US-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-26 US disclosed
US-7459562-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-7459562-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
CN-101128199-A Monocyclic heterocycles as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-02-20 CN disclosed
EP-1737451-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-03 EP disclosed
WO-2005117867-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-03 US 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-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 CYP17A1 1922/4885MET 162/4885MAP4K4 40/4885
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors CDK2, MAP3K19, CDK1 CYP17A1 1922/4885MET 162/4885MAP4K4 40/4885
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 CYP17A1 1922/4885MET 162/4885MAP4K4 40/4885

“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.