SCHEMBL2213142

SCHEMBL2213142

CN(C)C(=O)COc1ccc(S)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KEAP1 Q14145 5/20 0.49
NFE2L2 Q16236 5/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.45
PDK2 Q15119 1/20 0.44
POLB P06746 2/20 0.43
LOXL2 Q9Y4K0 2/20 0.43
SRD5A2 P31213 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
SCHEMBL1958617 0.83 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EALDH1A1TP53HPGD
SCHEMBL14220752 0.83 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EALDH1A1TP53HPGD
SCHEMBL2211541 0.82 NPC1 (0.67) NPC1RAB9A
SCHEMBL27165343 0.81 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EALDH1A1TP53HPGD
SCHEMBL9749821 0.81 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EALDH1A1TP53HPGD
SCHEMBL3845636 0.81 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EALDH1A1TP53HPGD
SCHEMBL8320409 0.81 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EALDH1A1TP53HPGD
SCHEMBL3632818 0.81 SMN1; SMN2 (0.86) SMN1; SMN2KDM4EKEAP1NFE2L2NPC1
SCHEMBL4477658 0.80 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EALDH1A1TP53HPGD
SCHEMBL6538720 0.80 SMN1; SMN2 (0.68) SMN1; SMN2TP53KEAP1NFE2L2MAPK1

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 SMN1; SMN2 4125/4885KDM4E 1304/4885ALDH1A1 1207/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 SMN1; SMN2 4142/4885KDM4E 1297/4885ALDH1A1 1249/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 SMN1; SMN2 4125/4885KDM4E 1304/4885ALDH1A1 1207/4885

“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.