SCHEMBL2645586

SCHEMBL2645586

CS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2Oc2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.59
CBFB Q13951 1/20 0.59
SCD O00767 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
RUNX1 Q01196 1/20 0.47

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
SCHEMBL2643892 0.92 GCK (0.49) GCKCBFBSCD
SCHEMBL2645464 0.88 NPC1 (0.60) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL2645980 0.88 CBFB (0.62) GCKCBFBSCDNPC1RAB9A
SCHEMBL2644329 0.87 CBFB (0.61) GCKCBFBSCDNPC1RAB9A
SCHEMBL2647832 0.85 GCK (0.59) GCKCBFBSCD
SCHEMBL1656547 0.85 CBFB (0.63) GCKCBFBSCDNPC1RAB9A
SCHEMBL2653649 0.84 GCK (0.51) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL2645280 0.84 GCK (0.52) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL2646514 0.83 CHEK2 (0.60) GCKNPC1RAB9A
SCHEMBL1656643 0.83 GCK (0.67) GCKCBFBSCD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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 (1 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 GCK 1/4885CBFB 1550/4885SCD 1915/4885

“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.