SCHEMBL4476005

SCHEMBL4476005

CNC(=O)c1cc(Oc2cccc(-c3c[nH]c(C(=O)Nc4cc(OC)c(Cl)cc4OC)c3)c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.45
MAPT P10636 3/20 0.45
RET P07949 1/20 0.44
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
STAT3 P40763 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDR P35968 2/20 0.43
DDR2 Q16832 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GSK3B P49841 1/20 0.42
BRAF P15056 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
CSF1R P07333 1/20 0.41
PYGL P06737 1/20 0.41
PYGM P11217 1/20 0.41

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
SCHEMBL4463605 0.94 LMNA (0.46) RAF1MAPTRETKDM4ENPC1
SCHEMBL4473374 0.90 DDR2 (0.54) RAF1RETNPC1HPGDHSD17B10
SCHEMBL9102036 0.88 MAPT (0.41) MAPTKDM4ENPC1ALDH1A1LMNA
SCHEMBL4470556 0.88 RAF1 (0.49) RAF1RETKDRDDR2GSK3B
SCHEMBL4463483 0.85 RAF1 (0.64) RAF1MAPTRETKDM4ELMNA
SCHEMBL4463621 0.83 RET (0.55) RAF1RETKDRDDR2GSK3B
SCHEMBL4463604 0.83 RAF1 (0.51) RAF1RETKDRDDR2BRAF
SCHEMBL4485728 0.83 RET (0.43) RAF1RETKDRDDR2BRAF
SCHEMBL9103055 0.82 LMNA (0.44) RAF1MAPTKDM4ENPC1ALDH1A1
SCHEMBL4467857 0.82 RET (0.51) RAF1RETKDRDDR2GSK3B

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 RAF1 1/4885MAPT 3529/4885RET 36/4885

“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.