SCHEMBL4459596

SCHEMBL4459596

CNC(=O)c1cc(Oc2cccc(-c3c[nH]c(C(=O)N(NCCCN(C)C)c4cccc(C)c4)c3)c2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.36
BRAF P15056 8/20 0.35
RAF1 P04049 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HIPK4 Q8NE63 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL4473226 0.86 KDR (0.38) KDRBRAFRAF1HIPK4RET
SCHEMBL4470750 0.82 KDR (0.37) KDRBRAFRAF1HIPK4RET
SCHEMBL4459588 0.77 KDR (0.44) KDRBRAFRAF1HIPK4RET
SCHEMBL4473222 0.77 KDR (0.44) KDRRAF1
SCHEMBL4485733 0.75 RET (0.42) KDRBRAFRAF1HIPK4RET
SCHEMBL4470287 0.74 KDR (0.50) KDRBRAFRAF1HIPK4RET
SCHEMBL4463488 0.72 KDR (0.50) KDRBRAFRAF1HIPK4RET
SCHEMBL4463607 0.72 BRAF (0.41) KDRBRAFRAF1HIPK4RET
SCHEMBL4470743 0.72 KDR (0.45) KDRBRAFRAF1HIPK4RET
SCHEMBL4480053 0.71 RET (0.57) KDRBRAFRAF1HIPK4RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685125-B1 Pyrrole derivatives useful for the treatment of proliferative diseases MERCK PATENT GMBH (DE) 2012-06-06 EP claimed
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 claimed
US-20070149594-A1 Pyrrole derivatives MERCK PATENT GMBH (DE) 2007-06-28 US claimed
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 2076/4885BRAF 2/4885RAF1 1/4885

“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.