SCHEMBL4161663

SCHEMBL4161663

FC(F)(F)c1cc(C(F)(F)F)c2nc(Nc3ccc(Oc4cccnc4)cc3)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.52
KDR P35968 3/20 0.46
PDE10A Q9Y233 3/20 0.46
CSNK1A1 P48729 2/20 0.46
CSNK1D P48730 2/20 0.46
GSK3B P49841 1/20 0.46
CSNK1G2 P78368 1/20 0.46
TTBK1 Q5TCY1 3/20 0.43
TTBK2 Q6IQ55 2/20 0.43
CACNA1G O43497 1/20 0.43
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
CDK1 P06493 2/20 0.40
TEK Q02763 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1C Q13936 1/20 0.40
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL4172506 0.89 KDR (0.48) CACNA1HKDRPDE10ACSNK1A1CSNK1D
SCHEMBL4167598 0.89 CDK1 (0.46) CACNA1HKDRPDE10ACSNK1A1CSNK1D
SCHEMBL4165936 0.88 KDR (0.58) CACNA1HKDRPDE10ACSNK1A1CSNK1D
SCHEMBL30822929 0.85 CACNA1H (0.60) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL5452871 0.84 DYRK1A (0.56) KDRPDE10ACSNK1A1CSNK1DGSK3B
SCHEMBL4169753 0.80 KDR (0.61) KDRPDE10ACSNK1A1CSNK1DGSK3B
SCHEMBL30822896 0.80 CACNA1H (0.52) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL30822926 0.79 CACNA1H (0.51) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL4161466 0.78 KDR (0.53) CACNA1HKDRPDE10ACSNK1A1CSNK1D
SCHEMBL30822919 0.78 CACNA1H (0.50) CACNA1HCACNA1GCACNA1BCACNA1C

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 CACNA1H 3962/4885KDR 2/4885PDE10A 4225/4885
US-20070066660-A1 Benzimidazolyl derivatives TIE1, ECE2, ABL1 CACNA1H 4766/4885KDR 5/4885PDE10A 3571/4885

“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.