SCHEMBL4170813

SCHEMBL4170813

Cc1ccc2[nH]c(Nc3ccc(Oc4cccnc4)cc3)nc2c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.45
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CDK1 P06493 2/20 0.41
CYP19A1 P11511 2/20 0.40
LTA4H P09960 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
SYK P43405 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
CBFB Q13951 1/20 0.37
LMNA P02545 1/20 0.37
P2RX3 P56373 1/20 0.36
TEK Q02763 1/20 0.36

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
SCHEMBL4173628 0.89 PDE10A (0.43) PDE10ATTBK1TTBK2CSNK1A1CSNK1D
SCHEMBL4170611 0.88 PDE10A (0.48) PDE10ATTBK1TTBK2CSNK1A1CSNK1D
SCHEMBL4172140 0.87 KDR (0.43) PDE10ACSNK1A1CSNK1DCBFBLMNA
SCHEMBL4173611 0.81 CSNK1D (0.52) PDE10ATTBK1TTBK2CSNK1A1CSNK1D
SCHEMBL4164550 0.78 CSNK1A1 (0.59) PDE10ATTBK1TTBK2CSNK1A1CSNK1D
SCHEMBL4173092 0.78 CSNK1D (0.48) PDE10ATTBK1TTBK2CSNK1A1CSNK1D
SCHEMBL4161807 0.76 KDR (0.52) PDE10ACSNK1A1CSNK1DP2RX3TEK
SCHEMBL4170478 0.76 PDE10A (0.52) PDE10ATTBK1TTBK2CSNK1A1CSNK1D
SCHEMBL4166878 0.75 MGAM (0.49) PDE10ACSNK1A1CSNK1DALDH1A1NPC1
SCHEMBL4161663 0.74 CACNA1H (0.52) PDE10ATTBK1TTBK2CSNK1A1CSNK1D

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 PDE10A 4225/4885TTBK1 431/4885TTBK2 220/4885
US-20070066660-A1 Benzimidazolyl derivatives TIE1, ECE2, ABL1 PDE10A 3571/4885TTBK1 353/4885TTBK2 172/4885

“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.