SCHEMBL4459588

SCHEMBL4459588

CNC(=O)c1cc(Oc2cccc(-c3c[nH]c(C(=O)Nc4cc(C)ccc4N(C)CCN(C)C)c3)c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.44
FLT1 P17948 1/20 0.37
ROCK2 O75116 2/20 0.37
HIPK4 Q8NE63 2/20 0.36
RET P07949 2/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
MAPK13 O15264 1/20 0.36
JAK2 O60674 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
LYN P07948 1/20 0.36
ROS1 P08922 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL9100306 0.89 KDR (0.41) KDRFLT1ROCK2
SCHEMBL4473222 0.88 KDR (0.44) KDRFLT1ROCK2RAF1
SCHEMBL4470743 0.82 KDR (0.45) KDRFLT1HIPK4RETRAF1
SCHEMBL4470285 0.81 KDR (0.50) KDRFLT1HIPK4RETRAF1
SCHEMBL4473226 0.78 KDR (0.38) KDRHIPK4RETRAF1BRAF
SCHEMBL9098841 0.77 KDR (0.41) KDRFLT1ROCK2
SCHEMBL4485728 0.77 RET (0.43) KDRFLT1HIPK4RETRAF1
SCHEMBL4459596 0.77 KDR (0.36) KDRHIPK4RETRAF1BRAF
SCHEMBL5724634 0.76 KDR (0.40) KDRFLT1ROCK2
SCHEMBL4463605 0.75 LMNA (0.46) KDRRETRAF1BRAF

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 2076/4885FLT1 616/4885ROCK2 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.