SCHEMBL2642630

SCHEMBL2642630

CCNc1cc([S])ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOS2 P35228 1/20 0.40
EGFR P00533 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
HCAR3 P49019 1/20 0.37
HRH4 Q9H3N8 3/20 0.36
PRKD1 Q15139 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
KDM4D Q6B0I6 2/20 0.33

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 0.79 EGFR (0.41) KMT2AALDH1A1SMN1; SMN2NOS2EGFR
SCHEMBL827847 0.79 NOS2 (0.61) KMT2AALDH1A1SMN1; SMN2NOS2MEN1
SCHEMBL11163660 0.78 NOS2 (0.39) KMT2AALDH1A1SMN1; SMN2NOS2EGFR
SCHEMBL2642666 0.78 KCNH2 (0.41) KMT2AALDH1A1SMN1; SMN2NOS2EGFR
SCHEMBL2642631 0.78 NOS2 (0.39) KMT2AALDH1A1SMN1; SMN2NOS2EGFR
SCHEMBL2642662 0.78 NOS2 (0.42) KMT2AALDH1A1SMN1; SMN2NOS2EGFR
SCHEMBL18479359 0.78 MAPK14 (0.45) KMT2AALDH1A1SMN1; SMN2NOS2EGFR
SCHEMBL10444896 0.78 NOS2 (0.52) KMT2AALDH1A1SMN1; SMN2NOS2EGFR
SCHEMBL22306228 0.78 KMT2A (0.47) KMT2AALDH1A1SMN1; SMN2NOS2EGFR
SCHEMBL26686386 0.78 EGFR (0.51) ALDH1A1NOS2EGFRMAPTPOLB

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 KMT2A 1297/4885ALDH1A1 1207/4885SMN1; SMN2 4125/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 KMT2A 1311/4885ALDH1A1 1249/4885SMN1; SMN2 4142/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 KMT2A 1297/4885ALDH1A1 1207/4885SMN1; 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.