SCHEMBL4473222

SCHEMBL4473222

CNC(=O)c1cc(Oc2cccc(-c3c[nH]c(C(=O)Nc4cc(C)ccc4OCCN(C)C)c3)c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.44
RAF1 P04049 2/20 0.39
ROCK2 O75116 5/20 0.38
HDAC1 Q13547 1/20 0.38
FLT1 P17948 1/20 0.37

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
SCHEMBL4470743 0.91 KDR (0.45) KDRRAF1FLT1
SCHEMBL9098841 0.89 KDR (0.41) KDRROCK2HDAC1FLT1
SCHEMBL4459588 0.88 KDR (0.44) KDRRAF1ROCK2FLT1
SCHEMBL5724634 0.87 KDR (0.40) KDRROCK2HDAC1FLT1
SCHEMBL4473226 0.81 KDR (0.38) KDRRAF1
SCHEMBL9103231 0.80 KDR (0.42) KDRRAF1FLT1
SCHEMBL4473374 0.80 DDR2 (0.54) KDRRAF1
SCHEMBL5725077 0.79 KDR (0.41) KDRRAF1FLT1
SCHEMBL4463605 0.79 LMNA (0.46) KDRRAF1
SCHEMBL4463483 0.79 RAF1 (0.64) KDRRAF1

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 2076/4885RAF1 1/4885ROCK2 206/4885

“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.