SCHEMBL2647096

SCHEMBL2647096

CS(=O)(=O)c1ccc(Oc2cc(Sc3ccccn3)c3nc(-c4ccccn4)[nH]c3c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.44
CBFB Q13951 12/20 0.42
RUNX1 Q01196 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 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
SCHEMBL2645683 0.91 CBFB (0.43) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2645830 0.85 CBFB (0.45) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2645420 0.85 CBFB (0.37) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2645178 0.84 NPC1 (0.55) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2645996 0.80 GCK (0.42) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2645888 0.80 CBFB (0.43) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2647458 0.80 GCK (0.42) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2645822 0.79 GCK (0.44) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2644760 0.79 GCK (0.42) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2644460 0.79 CBFB (0.44) GCKCBFBRUNX1NPC1RAB9A

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 1550/4885RUNX1 3484/4885

“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.