SCHEMBL2642631

SCHEMBL2642631

CCNc1cc(S)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.39
MAPT P10636 1/20 0.37
EGFR P00533 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
HCAR3 P49019 1/20 0.36
PGK1 P00558 2/20 0.35
MAPK10 P53779 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
PRKD1 Q15139 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL11090712 0.78 EGFR (0.41) NOS2MAPTEGFRKMT2AMEN1
SCHEMBL827847 0.78 NOS2 (0.61) NOS2KMT2AMEN1POLBALDH1A1
SCHEMBL2642630 0.78 KMT2A (0.41) NOS2MAPTEGFRKMT2AMEN1
SCHEMBL2642820 0.77
SCHEMBL11163660 0.76 NOS2 (0.39) NOS2MAPTEGFRKMT2AMEN1
SCHEMBL22306228 0.76 KMT2A (0.47) NOS2MAPTEGFRKMT2AMEN1
SCHEMBL10444896 0.76 NOS2 (0.52) NOS2MAPTEGFRKMT2AMEN1
SCHEMBL18479359 0.76 MAPK14 (0.45) NOS2MAPTEGFRKMT2AMEN1
SCHEMBL2642662 0.76 NOS2 (0.42) NOS2MAPTEGFRKMT2AMEN1
SCHEMBL2642666 0.76 KCNH2 (0.41) NOS2MAPTEGFRKMT2AMEN1

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 NOS2 1120/4885MAPT 4596/4885EGFR 2924/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 NOS2 1219/4885MAPT 4612/4885EGFR 2897/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 NOS2 1120/4885MAPT 4596/4885EGFR 2924/4885

“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.