SCHEMBL2642461

SCHEMBL2642461

CCNc1ccc([S])cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.53
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
PIK3CG P48736 2/20 0.43
PIK3CD O00329 1/20 0.43
PIP5K1C O60331 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
KIT P10721 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
HPGD P15428 1/20 0.35
EGFR P00533 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL81827 0.77 HCAR3 (0.55) HCAR3ADRA2AADRA2BADRA2CPIK3CG
SCHEMBL2642455 0.76
SCHEMBL14416655 0.75 HCAR3 (0.53) HCAR3ADRA2AADRA2BADRA2CPIK3CG
SCHEMBL12497548 0.75 PTK2 (0.56) HCAR3ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL2642463 0.75 HCAR3 (0.53) HCAR3ADRA2AADRA2BADRA2CPIK3CG
SCHEMBL30721187 0.75 HCAR3 (0.53) HCAR3ADRA2AADRA2BADRA2CPIK3CG
SCHEMBL2643405 0.75 ADRA2A (0.54) HCAR3ADRA2AADRA2BADRA2CPIK3CG
SCHEMBL503269 0.75 NPC1 (0.55) HCAR3ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL2643402 0.75 HCAR3 (0.53) HCAR3ADRA2AADRA2BADRA2CPIK3CG
SCHEMBL17082679 0.75 HCAR3 (0.53) HCAR3ADRA2AADRA2BADRA2CPIK3CG

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 HCAR3 1052/4885ADRA2A 1415/4885ADRA2B 2031/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 HCAR3 995/4885ADRA2A 1418/4885ADRA2B 2059/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 HCAR3 1052/4885ADRA2A 1415/4885ADRA2B 2031/4885

“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.