SCHEMBL2656253

SCHEMBL2656253

CC(C)Oc1cc(OCCc2ccsc2)cc(C(=O)Nc2ccn(Cc3ccccc3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.66
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 1/20 0.46
PTGER1 P34995 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
SCHEMBL2657112 0.91 GCK (0.60) GCK
SCHEMBL12615704 0.87 GCK (0.70) GCK
SCHEMBL2657334 0.84 GCK (0.66) GCKNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14505791 0.80 GCK (1.00) GCK
SCHEMBL2664621 0.79 GCK (0.79) GCK
SCHEMBL2664652 0.79 GCK (0.77) GCK
SCHEMBL2656956 0.78 GCK (0.81) GCK
SCHEMBL2656697 0.78 GCK (0.81) GCK
SCHEMBL2657449 0.78 GCK (0.81) GCK
SCHEMBL14546720 0.78 GCK (0.74) GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197849-B1 N- ( PYRAZOLE- 3 -YL) -BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2013-02-27 EP claimed
US-8236824-B2 N-(pyrazole-3-yl)-benzamide derivatives as glucokinase activators MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-08-07 US claimed
US-20100210690-A1 N-(PYRAZOLE-3-YL)-BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-19 US claimed
EP-2197849-B1 N- ( PYRAZOLE- 3 -YL) -BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2013-02-27 EP disclosed
EP-2197849-B1 N- ( PYRAZOLE- 3 -YL) -BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2013-02-27 EP disclosed
US-8236824-B2 N-(pyrazole-3-yl)-benzamide derivatives as glucokinase activators MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-08-07 US disclosed
US-8236824-B2 N-(pyrazole-3-yl)-benzamide derivatives as glucokinase activators MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-08-07 US disclosed
US-8236824-B2 N-(pyrazole-3-yl)-benzamide derivatives as glucokinase activators MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-08-07 US disclosed
US-20100210690-A1 N-(PYRAZOLE-3-YL)-BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-19 US disclosed
US-20100210690-A1 N-(PYRAZOLE-3-YL)-BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-19 US disclosed
US-20100210690-A1 N-(PYRAZOLE-3-YL)-BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-19 US disclosed
EP-2197849-A1 N- ( PYRAZOLE- 3 -YL) -BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS Merck Patent GmbH (DE) 2010-06-23 EP disclosed
WO-2009046802-A1 N- ( PYRAZOLE- 3 -YL) -BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-04-16 WO disclosed
WO-2009046802-A1 N- ( PYRAZOLE- 3 -YL) -BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-04-16 WO 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-20100210690-A1 N-(PYRAZOLE-3-YL)-BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, HK1, GCK GCK 3/4885NPC1 2521/4885RAB9A 3848/4885

“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.