SCHEMBL4474322

SCHEMBL4474322

CNC(=O)c1cc(Oc2ccc(-c3c[nH]c(C(=O)O)c3)cc2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.55
BRAF P15056 8/20 0.54
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
RAF1 P04049 5/20 0.50
HIPK4 Q8NE63 4/20 0.50
EPHX2 P34913 1/20 0.50
MET P08581 1/20 0.48
FLT3 P36888 1/20 0.48
DDR2 Q16832 1/20 0.47
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
MAPK13 O15264 1/20 0.46
JAK2 O60674 1/20 0.46
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
LYN P07948 1/20 0.46
RET P07949 1/20 0.46

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
SCHEMBL4485385 0.86 KDR (0.52) KDRBRAFCCNCCDK8RAF1
SCHEMBL9283605 0.86 KDR (0.54) KDRBRAFRAF1HIPK4EPHX2
SCHEMBL4467015 0.84 KDR (0.59) KDRBRAFCCNCCDK8RAF1
SCHEMBL4463501 0.81 KDR (0.52) KDRBRAFCCNCCDK8RAF1
SCHEMBL4474065 0.80 DDR2 (0.55) KDRBRAFCCNCCDK8RAF1
SCHEMBL4474468 0.80 KDR (0.46) KDRBRAFCCNCCDK8RAF1
SCHEMBL3590776 0.80 BRAF (0.69) KDRBRAFCCNCCDK8RAF1
SCHEMBL5725068 0.79 KDR (0.49) KDRBRAFRAF1HIPK4EPHX2
SCHEMBL4474992 0.78 RAF1 (0.72) KDRBRAFCCNCCDK8RAF1
SCHEMBL4469831 0.78 RAF1 (0.71) KDRBRAFCCNCCDK8RAF1

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 8 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 disclosed
EP-1685125-B1 Pyrrole derivatives useful for the treatment of proliferative diseases MERCK PATENT GMBH (DE) 2012-06-06 EP disclosed
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-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-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
US-20070149594-A1 Pyrrole derivatives MERCK PATENT GMBH (DE) 2007-06-28 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 2/4885CCNC 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.