SCHEMBL2646016

SCHEMBL2646016

CN(C)C(=O)c1ccc(Oc2cc(Oc3cccn(C)c3=O)c3nc(-c4ccccn4)[nH]c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.41
CBFB Q13951 6/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
RUNX1 Q01196 1/20 0.38
TGFBR1 P36897 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALPL P05186 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
SCHEMBL2645845 0.90 GCK (0.43) GCKCBFBALDH1A1HPGDTP53
SCHEMBL2646482 0.87 GCK (0.44) GCKCBFBALDH1A1HPGDTP53
SCHEMBL2645759 0.86 GCK (0.46) GCKCBFBALDH1A1HPGDTP53
SCHEMBL2645696 0.86 GCK (0.42) GCKCBFBALDH1A1HPGDTP53
SCHEMBL2643981 0.85 GCK (0.42) GCKCBFBALDH1A1HPGDTP53
SCHEMBL2644315 0.85 DHODH (0.46) GCKCBFBALDH1A1HPGDTP53
SCHEMBL2644784 0.85 GCK (0.43) GCKCBFBALDH1A1HPGDTP53
SCHEMBL2647362 0.85 CBFB (0.46) GCKCBFBALDH1A1HPGDTP53
SCHEMBL2646267 0.85 GCK (0.42) GCKCBFBALDH1A1HPGDTP53
SCHEMBL2644975 0.85 CBFB (0.46) GCKCBFBALDH1A1HPGDTP53

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 1550/4885ALDH1A1 1188/4885

“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.