SCHEMBL4467837

SCHEMBL4467837

Cc1nsc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(OC[C@@H]3CCCN3C)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.54
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35

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
SCHEMBL11946702 1.00 GCK (0.54) GCKCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL14199098 1.00 GCK (0.54) GCKCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL10476365 0.90 GCK (0.56) GCK
SCHEMBL10476352 0.90 GCK (0.56) GCK
SCHEMBL14199097 0.87 GCK (0.52) GCK
SCHEMBL11944481 0.87 GCK (0.52) GCK
SCHEMBL4460293 0.86 GCK (0.55) GCK
SCHEMBL4458751 0.86 GCK (0.55) GCK
SCHEMBL926396 0.86 GCK (0.61) GCK
SCHEMBL4464032 0.85 GCK (0.58) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2077266-A1 2-PYRIDINECARBOXAMIDE DERIVATIVE HAVING GK-ACTIVATING ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-08 EP claimed
US-20080090799-A1 2-PYRIDINECARBOXAMIDE DERIVATIVE HAVING GK-ACTIVATING EFFECT MSD K.K. (JP) 2008-04-17 US claimed
US-8338460-B2 3-({4-[2-(dimethylamino)ethoxy]phenyl}thio)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]pyridine-2-carboxamide; glucokinase activator; antidiabetic, obesity MSD K. K. (JP) 2012-12-25 US disclosed
US-8338460-B2 3-({4-[2-(dimethylamino)ethoxy]phenyl}thio)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]pyridine-2-carboxamide; glucokinase activator; antidiabetic, obesity MSD K. K. (JP) 2012-12-25 US disclosed
US-8338460-B2 3-({4-[2-(dimethylamino)ethoxy]phenyl}thio)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]pyridine-2-carboxamide; glucokinase activator; antidiabetic, obesity MSD K. K. (JP) 2012-12-25 US disclosed
EP-2077266-B1 2-PYRIDINECARBOXAMIDE DERIVATIVE HAVING GK-ACTIVATING ACTIVITY MSD KK (JP) 2012-07-25 EP disclosed
EP-2077266-B1 2-PYRIDINECARBOXAMIDE DERIVATIVE HAVING GK-ACTIVATING ACTIVITY MSD KK (JP) 2012-07-25 EP disclosed
EP-2077266-A1 2-PYRIDINECARBOXAMIDE DERIVATIVE HAVING GK-ACTIVATING ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-08 EP disclosed
EP-2077266-A1 2-PYRIDINECARBOXAMIDE DERIVATIVE HAVING GK-ACTIVATING ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-08 EP disclosed
US-20080090799-A1 2-PYRIDINECARBOXAMIDE DERIVATIVE HAVING GK-ACTIVATING EFFECT MSD K.K. (JP) 2008-04-17 US disclosed
US-20080090799-A1 2-PYRIDINECARBOXAMIDE DERIVATIVE HAVING GK-ACTIVATING EFFECT MSD K.K. (JP) 2008-04-17 US disclosed
US-20080090799-A1 2-PYRIDINECARBOXAMIDE DERIVATIVE HAVING GK-ACTIVATING EFFECT MSD K.K. (JP) 2008-04-17 US 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-20080090799-A1 2-PYRIDINECARBOXAMIDE DERIVATIVE HAVING GK-ACTIVATING EFFECT GCKR, GCK, GPR119 GCK 2/4885CHRNB1 2562/4885CHRNB2 2309/4885

“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.