SCHEMBL2211543

SCHEMBL2211543

Cc1nsc(NC(=O)c2nc(Sc3nnc[nH]3)ccc2Sc2ccc(OCCN(C)C)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCK P35557 18/20 0.44
HRH3 Q9Y5N1 1/20 0.31
CD38 P28907 1/20 0.31

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
SCHEMBL2213746 0.92 GCK (0.45) GCK
SCHEMBL2212545 0.89 GCK (0.52) GCKHRH3CD38
SCHEMBL2211065 0.89 GCK (0.44) GCKHRH3
SCHEMBL2211355 0.87 GCK (0.59) GCK
SCHEMBL2211540 0.86 GCK (0.42) GCK
SCHEMBL671857 0.84 GCK (0.57) GCK
SCHEMBL2210566 0.83 GCK (0.44) GCKCD38
SCHEMBL2642574 0.83 GCK (0.42) GCK
SCHEMBL2213431 0.83 GCK (0.39) GCKHRH3CD38
SCHEMBL2212192 0.83 GCK (0.59) 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US claimed
EP-1598349-B1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD KK (JP) 2011-07-27 EP claimed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US claimed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US claimed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP claimed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US 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-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 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 (4 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 2/4885HRH3 2270/4885CD38 1555/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 GCK 2/4885HRH3 3835/4885CD38 1633/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 GCK 2/4885HRH3 3819/4885CD38 1525/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 GCK 2/4885HRH3 3835/4885CD38 1633/4885

“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.