SCHEMBL4164550

SCHEMBL4164550

Cc1ccc2nc(Nc3ccc(Oc4cccnc4)cc3)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 5/20 0.59
CSNK1D P48730 5/20 0.59
PDE10A Q9Y233 3/20 0.52
GSK3B P49841 4/20 0.51
CSNK1G2 P78368 4/20 0.51
ADORA2A P29274 1/20 0.48
CDK1 P06493 2/20 0.47
KDR P35968 1/20 0.47
RAF1 P04049 5/20 0.46
BRAF P15056 4/20 0.46
CHEK2 O96017 1/20 0.46
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
ROCK2 O75116 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL4173611 0.88 CSNK1D (0.52) CSNK1A1CSNK1DPDE10AGSK3BCSNK1G2
SCHEMBL4158747 0.87 KDR (0.59) CSNK1A1CSNK1DPDE10AGSK3BCSNK1G2
SCHEMBL4173092 0.84 CSNK1D (0.48) CSNK1A1CSNK1DPDE10AGSK3BCSNK1G2
SCHEMBL5452871 0.84 DYRK1A (0.56) CSNK1A1CSNK1DPDE10AGSK3BCSNK1G2
SCHEMBL4164725 0.83 CSNK1A1 (0.52) CSNK1A1CSNK1DPDE10AGSK3BCSNK1G2
SCHEMBL4170478 0.80 PDE10A (0.52) CSNK1A1CSNK1DPDE10ACDK1KDR
SCHEMBL4170611 0.79 PDE10A (0.48) CSNK1A1CSNK1DPDE10ACDK1KDR
SCHEMBL4170813 0.78 PDE10A (0.45) CSNK1A1CSNK1DPDE10ACDK1TTBK1
SCHEMBL4169753 0.77 KDR (0.61) CSNK1A1CSNK1DPDE10AGSK3BCSNK1G2
SCHEMBL18236211 0.76 ADORA2A (0.64) CSNK1A1CSNK1DGSK3BCSNK1G2ADORA2A

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 CSNK1A1 2182/4885CSNK1D 1595/4885PDE10A 4225/4885
US-20070066660-A1 Benzimidazolyl derivatives TIE1, ECE2, ABL1 CSNK1A1 2047/4885CSNK1D 1710/4885PDE10A 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.