SCHEMBL4170478

SCHEMBL4170478

Clc1ccc2[nH]c(Nc3ccc(Oc4cccnc4)cc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.52
RAF1 P04049 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
TTBK1 Q5TCY1 2/20 0.46
TTBK2 Q6IQ55 2/20 0.46
CDK1 P06493 2/20 0.45
KDR P35968 2/20 0.45
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
P2RX3 P56373 1/20 0.41
CYP19A1 P11511 1/20 0.40

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
SCHEMBL4164725 0.88 CSNK1A1 (0.52) PDE10ARAF1CSNK1A1CSNK1DTTBK1
SCHEMBL4161669 0.87 KDR (0.56) PDE10ARAF1CSNK1A1CSNK1DKDR
SCHEMBL4173092 0.84 CSNK1D (0.48) PDE10ARAF1CSNK1A1CSNK1DTTBK1
SCHEMBL4173611 0.83 CSNK1D (0.52) PDE10ARAF1CSNK1A1CSNK1DTTBK1
SCHEMBL16208426 0.82 ALDH1A1 (0.46) RAF1KDRALDH1A1HTTTDP1
SCHEMBL4169753 0.81 KDR (0.61) PDE10ARAF1CSNK1A1CSNK1DTTBK1
SCHEMBL3593695 0.80 ALDH1A1 (0.55) KDRALDH1A1HTTTDP1
SCHEMBL4164550 0.80 CSNK1A1 (0.59) PDE10ARAF1CSNK1A1CSNK1DTTBK1
SCHEMBL4173628 0.78 PDE10A (0.43) PDE10ARAF1CSNK1A1CSNK1DTTBK1
SCHEMBL5452871 0.78 DYRK1A (0.56) PDE10ARAF1CSNK1A1CSNK1DCDK1

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 14 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

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 4225/4885RAF1 765/4885CSNK1A1 2182/4885
US-20070066660-A1 Benzimidazolyl derivatives TIE1, ECE2, ABL1 PDE10A 3571/4885RAF1 80/4885CSNK1A1 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.