SCHEMBL2213982

SCHEMBL2213982

O=C(Nc1nccs1)c1nc(SN2C=NNC2)ccc1Sc1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.63
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MGAM O43451 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SI P14410 1/20 0.38
RAB9A P51151 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2214461 0.82 GCK (0.65) GCKKMT2ASMN1; SMN2GAAMEN1
SCHEMBL2213370 0.78 GCK (0.73) GCKKMT2ASMN1; SMN2GAAMEN1
SCHEMBL2213619 0.78 GCK (0.72) GCK
SCHEMBL2213443 0.77 GCK (0.71) GCKKMT2ASMN1; SMN2GAAMEN1
SCHEMBL2643024 0.75 GCK (1.00) GCKSMN1; SMN2
SCHEMBL2210526 0.73 GCK (0.67) GCK
SCHEMBL2212679 0.69 GCK (0.75) GCKL3MBTL1
SCHEMBL2250207 0.69 GCK (0.59) GCKSMN1; SMN2PKMNPC1ALDH1A1
SCHEMBL2212557 0.69 GCK (0.73) GCKSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL2208913 0.69 GCK (0.62) GCKKMT2ASMN1; SMN2MEN1NPC1

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 2/4885KMT2A 1297/4885SMN1; SMN2 4125/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 GCK 2/4885KMT2A 1311/4885SMN1; SMN2 4142/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 GCK 2/4885KMT2A 1297/4885SMN1; SMN2 4125/4885

“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.