SCHEMBL2646739

SCHEMBL2646739

CS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2Oc2ccccc2C(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.48
CBFB Q13951 3/20 0.46
RUNX1 Q01196 2/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2646005 0.92 GCK (0.43) GCKCBFB
SCHEMBL2644289 0.90 CBFB (0.52) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2645526 0.89 GCK (0.52) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2646317 0.88 GCK (0.53) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2644465 0.88 CBFB (0.49) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2644729 0.87 CBFB (0.48) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2646090 0.87 GCK (0.50) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2646481 0.87 GCK (0.52) GCKCBFB
SCHEMBL2646320 0.87 GCK (0.48) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2646292 0.87 GCK (0.52) 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.