SCHEMBL4164886

SCHEMBL4164886

Cc1cc(Oc2ccc(Nc3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2)nc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.41
CBFB Q13951 1/20 0.39
BRAF P15056 3/20 0.38
RAF1 P04049 2/20 0.38
HTT P42858 2/20 0.37
PTGES O14684 5/20 0.37
PDE10A Q9Y233 4/20 0.36
TEK Q02763 1/20 0.36
BRD4 O60885 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G2 P78368 1/20 0.35
MAPK14 Q16539 1/20 0.34
TNNI3K Q59H18 1/20 0.34
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 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
SCHEMBL4175186 0.90 RAB9A (0.42) KDRCBFBBRAFRAF1HTT
SCHEMBL4168762 0.89 RAF1 (0.38) KDRBRAFRAF1HTTPDE10A
SCHEMBL4166852 0.88 RIPK1 (0.45) KDRBRAFRAF1HTTPDE10A
SCHEMBL4164494 0.81 KDR (0.59) KDRCBFBBRAFRAF1PTGES
SCHEMBL4159414 0.80 RAB9A (0.42) KDRBRAFRAF1HTTPDE10A
SCHEMBL4164914 0.79 RIPK1 (0.44) KDRBRAFRAF1HTTPDE10A
SCHEMBL5452188 0.77 KDR (0.44) KDRCBFBBRAFRAF1PDE10A
SCHEMBL5444955 0.77 KDR (0.48) KDRCBFBBRAFRAF1PDE10A
SCHEMBL5459699 0.77 KDR (0.46) KDRCBFBBRAFRAF1PDE10A
SCHEMBL4172506 0.77 KDR (0.48) KDRCBFBBRAFRAF1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082404-A1 BENZIMIDAZOLES MERCK PATENT GMBH (DE) 2009-03-26 US claimed
US-20070066660-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US claimed
US-20090082404-A1 BENZIMIDAZOLES MERCK PATENT GMBH (DE) 2009-03-26 US disclosed
US-20090082404-A1 BENZIMIDAZOLES MERCK PATENT GMBH (DE) 2009-03-26 US disclosed
US-20090082404-A1 BENZIMIDAZOLES MERCK PATENT GMBH (DE) 2009-03-26 US disclosed
US-7470702-B2 Benzimidazoles MERCK PATENT GMBH (DE) 2008-12-30 US disclosed
US-7470702-B2 Benzimidazoles MERCK PATENT GMBH (DE) 2008-12-30 US disclosed
US-7470702-B2 Benzimidazoles MERCK PATENT GMBH (DE) 2008-12-30 US disclosed
US-20070066660-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
US-20070066660-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
US-20070066660-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
EP-1675849-A1 BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GmbH (DE) 2006-07-05 EP disclosed
WO-2005042520-A1 BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GMBH (DE) 2005-05-12 WO 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 (2 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-20090082404-A1 BENZIMIDAZOLES TIE1, KDR, FLT1 KDR 2/4885CBFB 2658/4885BRAF 983/4885
US-20070066660-A1 Benzimidazolyl derivatives TIE1, ECE2, ABL1 KDR 5/4885CBFB 3309/4885BRAF 103/4885

“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.