SCHEMBL2643769

SCHEMBL2643769

CN(C)C(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.58
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
RUNX1 Q01196 1/20 0.50
CBFB Q13951 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2646529 0.94 GCK (0.58) GCKNPC1RAB9ARUNX1CBFB
SCHEMBL2645727 0.94 GCK (0.57) GCKNPC1RAB9ARUNX1CBFB
SCHEMBL2645471 0.93 GCK (0.62) GCKNPC1RAB9ARUNX1CBFB
SCHEMBL2645717 0.93 GCK (0.53) GCKNPC1RAB9ARUNX1CBFB
SCHEMBL2644027 0.92 GCK (0.54) GCKNPC1RAB9ARUNX1CBFB
SCHEMBL2645902 0.92 GCK (0.54) GCKNPC1RAB9ARUNX1CBFB
SCHEMBL2647277 0.91 GCK (0.62) GCKCBFB
SCHEMBL2644765 0.90 GCK (0.53) GCKCBFB
Trifluoroacetic Acid SCHEMBL2646296 0.90 GCK (0.51) GCKRUNX1CBFB
SCHEMBL2646594 0.89 GCK (0.54) GCKCBFB

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 1/4885NPC1 748/4885RAB9A 4133/4885

“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.