SCHEMBL4164501

SCHEMBL4164501

O=[N+]([O-])c1ccc2nc(Nc3ccc(Oc4ccncc4)cc3)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.67
CSNK1D P48730 3/20 0.64
CSNK1G2 P78368 2/20 0.64
KDR P35968 2/20 0.54
NPC1 O15118 2/20 0.54
PKN1 Q16512 1/20 0.54
PKN2 Q16513 1/20 0.54
CHEK2 O96017 1/20 0.54
HDAC11 Q96DB2 1/20 0.53
CSNK1A1 P48729 2/20 0.52
CDK9 P50750 2/20 0.52
DYRK3 O43781 1/20 0.52
ABL1 P00519 1/20 0.52
CDK1 P06493 1/20 0.52
CSF1R P07333 1/20 0.52
MET P08581 1/20 0.52
PDGFRB P09619 1/20 0.52
PHKG2 P15735 1/20 0.52
CDK2 P24941 1/20 0.52
MARK3 P27448 1/20 0.52

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
SCHEMBL13906239 0.89 KDR (0.54) RIPK1CSNK1DCSNK1G2KDRHDAC11
SCHEMBL2891701 0.81 RIPK1 (0.77) RIPK1CSNK1DCSNK1G2KDRNPC1
SCHEMBL13906245 0.80 KDR (0.59) CSNK1DCSNK1G2KDRCHEK2CSNK1A1
SCHEMBL4158747 0.80 KDR (0.59) CSNK1DCSNK1G2KDRNPC1CSNK1A1
SCHEMBL4166869 0.79 POLB (0.61) CSNK1DKDRCHEK2CSNK1A1CSNK2A1
SCHEMBL5733146 0.79 KDR (0.58) CSNK1DCSNK1G2KDRCSNK1A1GSK3B
SCHEMBL4161824 0.78 CSNK1D (0.80) CSNK1DCSNK1G2KDRPKN1PKN2
SCHEMBL2893671 0.78 BRAF (0.77) CSNK1DCSNK1G2KDRRAF1BRAF
SCHEMBL4164511 0.77 KDR (0.67) CSNK1DCSNK1G2KDRCSNK1A1GSK3B
SCHEMBL13906249 0.77 PDE10A (0.70) CSNK1DKDRNPC1CSNK1A1MEN1

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 RIPK1 2981/4885CSNK1D 1595/4885CSNK1G2 792/4885
US-20070066660-A1 Benzimidazolyl derivatives TIE1, ECE2, ABL1 RIPK1 1907/4885CSNK1D 1710/4885CSNK1G2 886/4885

“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.