SCHEMBL1656331

SCHEMBL1656331

COC(=O)c1cc2nc(-c3ccccn3)[nH]c2cc1Oc1ccc(C#N)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
RUNX1 Q01196 2/20 0.48
CBFB Q13951 5/20 0.46
METAP2 P50579 2/20 0.45
METAP1 P53582 2/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1659577 0.85 GCK (0.51) GCKNPC1RAB9ARUNX1CBFB
SCHEMBL1657547 0.85 GCK (0.62) GCKNPC1RAB9ARUNX1CBFB
SCHEMBL1657079 0.84 GCK (0.57) GCKNPC1RAB9ARUNX1CBFB
SCHEMBL1656700 0.82 GCK (0.45) GCKNPC1RAB9ARUNX1CBFB
SCHEMBL1659590 0.82 GCK (0.60) GCKNPC1RAB9ARUNX1CBFB
SCHEMBL1659496 0.81 GCK (0.72) GCKNPC1RAB9ARUNX1CBFB
SCHEMBL1657755 0.80 METAP2 (0.41) GCKRUNX1METAP2METAP1
SCHEMBL1656372 0.77 GCK (0.63) GCKNPC1RAB9ARUNX1CBFB
SCHEMBL1659324 0.77 GCK (0.74) GCK
SCHEMBL2645280 0.76 GCK (0.52) GCKNPC1RAB9ARUNX1CBFB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1905769-B1 HETEROCYCLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2017-03-29 EP disclosed
EP-1810969-B1 ARYLOXY-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES MSD KK (JP) 2013-08-07 EP disclosed
US-7994331-B2 Heterocycle-substituted benzimidazole derivative MSD K.K. (JP) 2011-08-09 US disclosed
US-7932394-B2 1-{[5-[4-(Methylsulfonyl)phenoxy]-2-(2-pyridinyl)-1H-benzimidazol-6-yl]methyl}-5-thioxo-2-pyrrolidinone;glucokinase activator; antidiabetic agents; obesity; prevention of retinopathy, nephropathy, neurosis, ischemic cardiopathy, arteriosclerosis; antiischemic agents; cardiotonic agents MSD K.K. (JP) 2011-04-26 US disclosed
US-20100087360-A1 Heterocycle-substituted benzimidazole derivative MSD K.K. (JP) 2010-04-08 US disclosed
US-20080125429-A1 Aryloxy-Substituted Benzimidazole Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1905769-A1 HETEROCYCLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-02 EP disclosed
EP-1810969-A1 ARYLOXY-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-25 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 (2 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-20100087360-A1 Heterocycle-substituted benzimidazole derivative GCK, GCKR, HK1 GCK 1/4885NPC1 3662/4885RAB9A 4320/4885
US-20080125429-A1 Aryloxy-Substituted Benzimidazole Derivatives GCK, GCKR, SLC5A1 GCK 1/4885NPC1 1418/4885RAB9A 4370/4885

“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.