SCHEMBL4164559

SCHEMBL4164559

Clc1cc2nc(Nc3ccc(Oc4ccncc4)cc3)[nH]c2cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.63
CSNK1A1 P48729 2/20 0.51
CSNK1D P48730 2/20 0.51
RAF1 P04049 6/20 0.51
RHEB Q15382 1/20 0.48
PDE10A Q9Y233 6/20 0.47
BRAF P15056 5/20 0.45
GSK3B P49841 1/20 0.44
CSNK1G2 P78368 1/20 0.44
POLB P06746 1/20 0.43
SCN9A Q15858 1/20 0.41
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL4170820 0.90 KDR (0.59) KDRCSNK1A1CSNK1DRAF1PDE10A
SCHEMBL4167621 0.87 KDR (0.76) KDRCSNK1A1CSNK1DRAF1PDE10A
SCHEMBL4164725 0.87 CSNK1A1 (0.52) KDRCSNK1A1CSNK1DRAF1PDE10A
SCHEMBL4161669 0.86 KDR (0.56) KDRCSNK1A1CSNK1DRAF1PDE10A
SCHEMBL4164763 0.85 KDR (0.54) KDRCSNK1A1CSNK1DRAF1PDE10A
SCHEMBL5365311 0.83 KDM4E (0.52) KDRCSNK1A1CSNK1DRAF1GSK3B
SCHEMBL4158747 0.81 KDR (0.59) KDRCSNK1A1CSNK1DRAF1PDE10A
SCHEMBL13906245 0.81 KDR (0.59) KDRCSNK1A1CSNK1DRAF1PDE10A
SCHEMBL4364072 0.80 KDR (0.61) KDRCSNK1A1CSNK1DRAF1PDE10A
SCHEMBL13906249 0.80 PDE10A (0.70) KDRCSNK1A1CSNK1DPDE10A

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 2/4885CSNK1A1 2182/4885CSNK1D 1595/4885
US-20070066660-A1 Benzimidazolyl derivatives TIE1, ECE2, ABL1 KDR 5/4885CSNK1A1 2047/4885CSNK1D 1710/4885

“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.