SCHEMBL1137337

SCHEMBL1137337

NC(=O)C(C(=O)Nc1ccc(F)cc1)c1ccc(Oc2cc(Nc3ccc(OCc4ccccc4)cc3)ncn2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.47
ERBB2 P04626 9/20 0.47
MET P08581 3/20 0.47
KDR P35968 1/20 0.47
RAF1 P04049 2/20 0.43
LTA4H P09960 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 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
SCHEMBL1137341 0.85 EGFR (0.57) EGFRERBB2METKDRRAF1
SCHEMBL1136762 0.82 RAF1 (0.60) METKDRRAF1
SCHEMBL2256662 0.81 MET (0.62) METKDRRAF1
SCHEMBL1140183 0.81 RAF1 (0.53) METKDRRAF1
SCHEMBL3013694 0.81 EGFR (0.46) EGFRERBB2METKDRRAF1
SCHEMBL1136884 0.80 EGFR (0.58) EGFRERBB2METKDRRAF1
SCHEMBL1136851 0.80 MET (0.57) EGFRERBB2METKDRRAF1
SCHEMBL1137145 0.79 EGFR (0.54) EGFRERBB2METKDRRAF1
SCHEMBL1137006 0.79 MET (0.50) METKDRRAF1
SCHEMBL1137042 0.75 MET (0.48) METKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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 EGFR 119/4885ERBB2 31/4885MET 162/4885
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors CDK2, MAP3K19, CDK1 EGFR 119/4885ERBB2 31/4885MET 162/4885
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 EGFR 119/4885ERBB2 31/4885MET 162/4885

“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.