SCHEMBL4161807

SCHEMBL4161807

Cc1c(Cl)ccc2[nH]c(Nc3ccc(Oc4ccncc4)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.52
RAF1 P04049 7/20 0.42
PDE10A Q9Y233 4/20 0.40
SCN9A Q15858 1/20 0.39
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
BRAF P15056 5/20 0.38
PIM1 P11309 1/20 0.38
LCK P06239 3/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
ZAP70 P43403 1/20 0.36
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
SCHEMBL4172140 0.88 KDR (0.43) KDRRAF1PDE10ASCN9ACSNK1A1
SCHEMBL4173628 0.88 PDE10A (0.43) KDRRAF1PDE10ACSNK1A1CSNK1D
SCHEMBL4166878 0.81 MGAM (0.49) KDRRAF1PDE10ASCN9ACSNK1A1
SCHEMBL4170820 0.78 KDR (0.59) KDRRAF1PDE10ACSNK1A1CSNK1D
SCHEMBL4164559 0.77 KDR (0.63) KDRRAF1PDE10ASCN9ACSNK1A1
SCHEMBL4164494 0.76 KDR (0.59) KDRRAF1PDE10ASCN9ACSNK1A1
SCHEMBL4170813 0.76 PDE10A (0.45) PDE10ACSNK1A1CSNK1DP2RX3TEK
SCHEMBL4161669 0.76 KDR (0.56) KDRRAF1PDE10ASCN9ACSNK1A1
SCHEMBL4164763 0.74 KDR (0.54) KDRRAF1PDE10ASCN9ACSNK1A1
SCHEMBL4158747 0.73 KDR (0.59) KDRRAF1PDE10ACSNK1A1CSNK1D

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 KDR 2/4885RAF1 765/4885PDE10A 4225/4885
US-20070066660-A1 Benzimidazolyl derivatives TIE1, ECE2, ABL1 KDR 5/4885RAF1 80/4885PDE10A 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.