SCHEMBL2211308

SCHEMBL2211308

COc1ccc(Sc2ccc(Sc3nnc[nH]3)nc2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.47
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP12 P39900 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
HAO1 Q9UJM8 1/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33

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
SCHEMBL2210540 0.87 GCK (0.43) GCKMMP2MMP9MMP12MEN1
SCHEMBL2211408 0.84 GCK (0.57) GCKALDH1A1
SCHEMBL2642970 0.83 GCK (0.50) GCK
SCHEMBL2210652 0.82 GCK (0.53) GCKMEN1KMT2A
SCHEMBL2212577 0.81 GCK (0.49) GCKALDH1A1HTT
SCHEMBL2213471 0.81 GCK (0.53) GCKMEN1ALDH1A1KMT2A
SCHEMBL2210345 0.81 GCK (0.53) GCK
SCHEMBL2213008 0.81 GCK (0.58) GCK
SCHEMBL2213081 0.81 GCK (0.56) GCKMEN1KMT2A
SCHEMBL2215404 0.81 GCK (0.54) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
EP-1598349-B1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD KK (JP) 2011-07-27 EP disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 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 (3 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 GCK 2/4885MMP2 1272/4885MMP9 4141/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 GCK 2/4885MMP2 1322/4885MMP9 4174/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 GCK 2/4885MMP2 1272/4885MMP9 4141/4885

“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.