SCHEMBL4172140

SCHEMBL4172140

Cc1ccc2[nH]c(Nc3ccc(Oc4ccncc4)cc3)nc2c1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.43
PDE10A Q9Y233 6/20 0.41
SCN9A Q15858 1/20 0.40
CSNK1D P48730 2/20 0.40
CSNK1A1 P48729 1/20 0.40
PIM1 P11309 1/20 0.39
RAF1 P04049 5/20 0.39
BRAF P15056 4/20 0.38
CBFB Q13951 1/20 0.38
LMNA P02545 1/20 0.38
TEK Q02763 1/20 0.37
CSNK1G2 P78368 1/20 0.35

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
SCHEMBL4161807 0.88 KDR (0.52) KDRPDE10ASCN9ACSNK1DCSNK1A1
SCHEMBL4170813 0.87 PDE10A (0.45) PDE10ACSNK1DCSNK1A1CBFBLMNA
SCHEMBL4166878 0.85 MGAM (0.49) KDRPDE10ASCN9ACSNK1DCSNK1A1
SCHEMBL4164763 0.79 KDR (0.54) KDRPDE10ASCN9ACSNK1DCSNK1A1
SCHEMBL4173628 0.76 PDE10A (0.43) KDRPDE10ACSNK1DCSNK1A1RAF1
SCHEMBL972047 0.75 TEK (0.72) KDRPDE10ATEK
SCHEMBL4158747 0.75 KDR (0.59) KDRPDE10ACSNK1DCSNK1A1RAF1
SCHEMBL4170820 0.75 KDR (0.59) KDRPDE10ACSNK1DCSNK1A1RAF1
SCHEMBL4364801 0.74 RAF1 (0.58) KDRPDE10ACSNK1DCSNK1A1RAF1
SCHEMBL4170611 0.74 PDE10A (0.48) KDRPDE10ACSNK1DCSNK1A1LMNA

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 16 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-7470702-B2 Benzimidazoles MERCK PATENT GMBH (DE) 2008-12-30 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 KDR 2/4885PDE10A 4225/4885SCN9A 4418/4885
US-20070066660-A1 Benzimidazolyl derivatives TIE1, ECE2, ABL1 KDR 5/4885PDE10A 3571/4885SCN9A 4598/4885

“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.