SCHEMBL2643006

SCHEMBL2643006

CC(=O)Nc1ccc([S])cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.62
CYP1A2 P05177 1/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 1/20 0.48
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
TDO2 P48775 1/20 0.46
NSD2 O96028 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
MET P08581 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
GLS O94925 1/20 0.41

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
SCHEMBL423961 0.78 RAB9A (0.75) PTK2CYP1A2GAAL3MBTL1KMT2A
SCHEMBL2646127 0.78 PTK2 (0.65) PTK2CYP1A2GAAL3MBTL1KMT2A
SCHEMBL1977386 0.78 PTK2 (0.65) PTK2CYP1A2GAAKMT2AMAPT
SCHEMBL761089 0.77 PTK2 (0.62) PTK2CYP1A2GAAL3MBTL1KMT2A
SCHEMBL2643120 0.77 PTK2 (0.62) PTK2CYP1A2GAAL3MBTL1KMT2A
SCHEMBL1431137 0.77 PTK2 (1.00) PTK2CYP1A2GAAL3MBTL1KMT2A
SCHEMBL14223704 0.77 PTK2 (0.62) PTK2CYP1A2GAAL3MBTL1KMT2A
SCHEMBL356367 0.77 PTK2 (0.62) PTK2CYP1A2GAAKMT2ARAB9A
SCHEMBL2643010 0.77 PTK2 (0.62) PTK2CYP1A2GAAL3MBTL1KMT2A
SCHEMBL1430301 0.77 PTK2 (0.62) PTK2CYP1A2GAAKMT2ARAB9A

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 7 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
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 PTK2 2308/4885CYP1A2 1518/4885GAA 481/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 PTK2 2342/4885CYP1A2 1602/4885GAA 482/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 PTK2 2308/4885CYP1A2 1518/4885GAA 481/4885

“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.