SCHEMBL4817306

SCHEMBL4817306

NC(=O)c1ccc(Oc2ccnc3[nH]ccc23)cc1F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.49
BRAF P15056 1/20 0.49
KDR P35968 1/20 0.49
MAPK14 Q16539 1/20 0.49
TNNI3K Q59H18 1/20 0.49
TRPA1 O75762 1/20 0.47
NUDT1 P36639 1/20 0.47
AXL P30530 1/20 0.46
MERTK Q12866 1/20 0.46
ROCK2 O75116 1/20 0.45

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
SCHEMBL4819907 0.86 MET (0.52) METBRAFKDRMAPK14TNNI3K
SCHEMBL4814426 0.85 KDR (0.54) METBRAFKDRMAPK14TNNI3K
SCHEMBL2879856 0.82 TRPA1 (0.52) METBRAFKDRMAPK14TNNI3K
SCHEMBL4821333 0.80 MET (0.53) METNUDT1ROCK2
SCHEMBL4811374 0.80 MET (0.53) METKDRROCK2
SCHEMBL14018111 0.80 KDR (0.52) METBRAFKDRMAPK14TNNI3K
SCHEMBL4815289 0.78 MET (0.61) METKDRROCK2
SCHEMBL6517924 0.76 AURKA (0.50) METBRAFAXLMERTK
SCHEMBL4819872 0.76 MET (0.56) METBRAFKDRMAPK14TNNI3K
SCHEMBL3793804 0.76 KDR (0.69) METKDRAXL

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 6 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 claimed
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-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 MET 721/4885BRAF 55/4885KDR 821/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MET 2109/4885BRAF 201/4885KDR 1746/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MET 721/4885BRAF 55/4885KDR 821/4885

“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.