SCHEMBL4474468

SCHEMBL4474468

CNC(=O)c1cc(Oc2ccc(CNC(=O)c3cc(-c4ccc(S(C)(=O)=O)cc4)c[nH]3)cc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.46
HIPK4 Q8NE63 2/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
BRAF P15056 3/20 0.42
CYP2C9 P11712 1/20 0.42
NAMPT P43490 1/20 0.42
DDR2 Q16832 1/20 0.42
MAPK14 Q16539 2/20 0.42
CSF1R P07333 1/20 0.42
CHRM4 P08173 1/20 0.41
RAF1 P04049 1/20 0.41
EPHX2 P34913 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
P2RX3 P56373 2/20 0.40

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
SCHEMBL9105817 0.88 CYP2C9 (0.41) KDRCCNCCDK8CYP2C9NAMPT
SCHEMBL4465323 0.81 ROCK2 (0.50) CYP2C9NAMPT
SCHEMBL13603542 0.81 MAPK14 (0.58) KDRHIPK4CCNCCDK8BRAF
SCHEMBL4474322 0.80 KDR (0.55) KDRHIPK4CCNCCDK8BRAF
SCHEMBL4485385 0.77 KDR (0.52) KDRHIPK4CCNCCDK8BRAF
SCHEMBL171351 0.76 KDR (0.47) KDRHIPK4BRAFDDR2MAPK14
SCHEMBL4467015 0.75 KDR (0.59) KDRHIPK4CCNCCDK8BRAF
SCHEMBL15573040 0.75 KDR (0.56) KDRHIPK4CCNCCDK8BRAF
SCHEMBL9283605 0.73 KDR (0.54) KDRHIPK4BRAFDDR2MAPK14
SCHEMBL13603502 0.73 MAPK14 (0.57) KDRHIPK4CCNCCDK8BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598274-B2 N-methyl-4-{4-[5-(4-chloro-3-trifluoromethylphenylcarbamoyl)-1H-pyrrol-3-yl]-phenoxy}pyridine-2-carboxamide; Raf kinases inhibitors MERCK PATENT GMBH (DE) 2009-10-06 US disclosed
US-20070149594-A1 Pyrrole derivatives MERCK PATENT GMBH (DE) 2007-06-28 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 (1 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-20070149594-A1 Pyrrole derivatives RAF1, BRAF, ARAF KDR 2076/4885HIPK4 322/4885CCNC 599/4885

“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.