SCHEMBL4166869

SCHEMBL4166869

O=C(O)c1ccc2nc(Nc3ccc(Oc4ccncc4)cc3)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
KDR P35968 3/20 0.55
CSNK1A1 P48729 1/20 0.55
CSNK1D P48730 1/20 0.55
RAF1 P04049 5/20 0.54
BRAF P15056 4/20 0.54
CHEK2 O96017 6/20 0.54
PIK3CA P42336 1/20 0.52
AKR1C3 P42330 1/20 0.50
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
TEK Q02763 1/20 0.47

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
SCHEMBL4173612 0.89 RAF1 (0.55) POLBKDRCSNK1A1CSNK1DRAF1
SCHEMBL5733146 0.86 KDR (0.58) POLBKDRCSNK1A1CSNK1DRAF1
SCHEMBL5733440 0.82 KDR (0.56) KDRCSNK1A1CSNK1DRAF1BRAF
SCHEMBL13906245 0.81 KDR (0.59) POLBKDRCSNK1A1CSNK1DRAF1
SCHEMBL4158747 0.81 KDR (0.59) KDRCSNK1A1CSNK1DRAF1BRAF
SCHEMBL13906239 0.81 KDR (0.54) POLBKDRCSNK1A1CSNK1DRAF1
SCHEMBL2931563 0.81 POLB (0.69) POLBKDRCHEK2PIK3CAAKR1C3
SCHEMBL2931483 0.81 POLB (0.85) POLBRAF1CHEK2PIK3CAAKR1C3
SCHEMBL2931923 0.79 AKR1C3 (0.57) POLBPIK3CAAKR1C3CSNK2A2CSNK2B
SCHEMBL4161824 0.79 CSNK1D (0.80) KDRCSNK1A1CSNK1DRAF1BRAF

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 POLB 2308/4885KDR 2/4885CSNK1A1 2182/4885
US-20070066660-A1 Benzimidazolyl derivatives TIE1, ECE2, ABL1 POLB 1670/4885KDR 5/4885CSNK1A1 2047/4885

“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.