SCHEMBL4173628

SCHEMBL4173628

Cc1c(Cl)ccc2[nH]c(Nc3ccc(Oc4cccnc4)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TTBK1 Q5TCY1 1/20 0.42
TTBK2 Q6IQ55 1/20 0.42
KDR P35968 1/20 0.41
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CDK1 P06493 2/20 0.39
CYP19A1 P11511 1/20 0.39
P2RX3 P56373 5/20 0.37
RAF1 P04049 1/20 0.37
LTA4H P09960 1/20 0.36
SYK P43405 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 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
SCHEMBL4170813 0.89 PDE10A (0.45) PDE10AALDH1A1HTTTDP1TTBK1
SCHEMBL4161807 0.88 KDR (0.52) PDE10AKDRCSNK1A1CSNK1DP2RX3
SCHEMBL4170611 0.84 PDE10A (0.48) PDE10AALDH1A1HTTTDP1TTBK1
SCHEMBL4173092 0.80 CSNK1D (0.48) PDE10AALDH1A1HTTTDP1TTBK1
SCHEMBL4164725 0.79 CSNK1A1 (0.52) PDE10AALDH1A1HTTTDP1TTBK1
SCHEMBL4172506 0.78 KDR (0.48) PDE10AALDH1A1HTTTDP1TTBK1
SCHEMBL4170478 0.78 PDE10A (0.52) PDE10AALDH1A1HTTTDP1TTBK1
SCHEMBL4173611 0.77 CSNK1D (0.52) PDE10AALDH1A1TTBK1TTBK2KDR
SCHEMBL4172140 0.76 KDR (0.43) PDE10AKDRCSNK1A1CSNK1DRAF1
SCHEMBL4164550 0.76 CSNK1A1 (0.59) PDE10AHTTTTBK1TTBK2KDR

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 11 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-20070066660-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US 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

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 4225/4885ALDH1A1 1149/4885HTT 4104/4885
US-20070066660-A1 Benzimidazolyl derivatives TIE1, ECE2, ABL1 PDE10A 3571/4885ALDH1A1 1635/4885HTT 4130/4885

“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.