SCHEMBL4887213

SCHEMBL4887213

COc1cn2ncc(C#N)c(Oc3ccc(N)cc3F)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.46
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
MET P08581 1/20 0.37
RET P07949 8/20 0.35
FGFR4 P22455 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4907775 0.81 MAP2K1 (0.64) MAP2K1KDM4EALDH1A1
SCHEMBL4390517 0.76 MET (0.57) METRETFGFR4
SCHEMBL4896473 0.74 MAP2K1 (0.46) MAP2K1MET
SCHEMBL4896135 0.74 MET (0.49) MET
SCHEMBL24393122 0.73 MAP2K1 (0.56) MAP2K1KDM4EALDH1A1RET
SCHEMBL5054175 0.72 SRC (0.60) MAP2K1KDM4EALDH1A1USP2
SCHEMBL24391776 0.70 MAP2K1 (0.51) MAP2K1RETNPBWR1MCHR1
SCHEMBL2644811 0.66 KDM4E (0.44) KDM4EALDH1A1USP2
SCHEMBL22069638 0.65 CYP19A1 (0.42) KDM4EALDH1A1USP2MAPK1
SCHEMBL24440616 0.65 MAP2K1 (0.44) MAP2K1RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MAP2K1 127/4885KDM4E 1251/4885ALDH1A1 3087/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MAP2K1 261/4885KDM4E 1105/4885ALDH1A1 3818/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MAP2K1 127/4885KDM4E 1251/4885ALDH1A1 3087/4885

“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.