SCHEMBL4166852

SCHEMBL4166852

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.45
BRAF P15056 3/20 0.38
RAF1 P04049 2/20 0.38
HTT P42858 1/20 0.37
PDE10A Q9Y233 4/20 0.36
KDR P35968 5/20 0.35
CSNK1A1 P48729 2/20 0.35
CSNK1D P48730 2/20 0.35
BRD4 O60885 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G2 P78368 1/20 0.35
TTBK1 Q5TCY1 2/20 0.35
TTBK2 Q6IQ55 2/20 0.35
MAPK14 Q16539 1/20 0.34
TNNI3K Q59H18 1/20 0.34
TEK Q02763 3/20 0.34
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL4164914 0.90 RIPK1 (0.44) RIPK1BRAFRAF1HTTPDE10A
SCHEMBL4168762 0.89 RAF1 (0.38) BRAFRAF1HTTPDE10AKDR
SCHEMBL4164886 0.88 KDR (0.41) BRAFRAF1HTTPDE10AKDR
SCHEMBL4170603 0.81 KDR (0.52) RIPK1BRAFRAF1PDE10AKDR
SCHEMBL4159414 0.80 RAB9A (0.42) BRAFRAF1HTTPDE10AKDR
SCHEMBL4175186 0.79 RAB9A (0.42) BRAFRAF1HTTPDE10AKDR
SCHEMBL5454824 0.77 RIPK1 (0.42) RIPK1BRAFRAF1PDE10AKDR
SCHEMBL5457064 0.77 TTBK1 (0.44) RIPK1BRAFRAF1PDE10AKDR
SCHEMBL5447563 0.77 TTBK1 (0.44) RIPK1BRAFRAF1PDE10AKDR
SCHEMBL4167598 0.77 CDK1 (0.46) RIPK1BRAFRAF1PDE10AKDR

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 15 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
EP-1675849-A1 BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GmbH (DE) 2006-07-05 EP claimed
WO-2005042520-A1 BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GMBH (DE) 2005-05-12 WO 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 RIPK1 2981/4885BRAF 983/4885RAF1 765/4885
US-20070066660-A1 Benzimidazolyl derivatives TIE1, ECE2, ABL1 RIPK1 1907/4885BRAF 103/4885RAF1 80/4885

“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.