SCHEMBL2642713

SCHEMBL2642713

CC(=O)Nc1cc(C[NH])ccn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
AURKA O14965 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
NR3C2 P08235 7/20 0.48
PIK3C3 Q8NEB9 4/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
MAPK14 Q16539 6/20 0.46
MAPK13 O15264 1/20 0.45

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
SCHEMBL91333 0.85 RIOK2 (0.57) L3MBTL1AURKAGSK3AGSK3BNR3C2
SCHEMBL7671508 0.85 L3MBTL1 (0.52) L3MBTL1AURKAGSK3AGSK3BNR3C2
SCHEMBL501285 0.85 L3MBTL1 (0.52) L3MBTL1AURKAGSK3AGSK3BNR3C2
SCHEMBL29507273 0.85 L3MBTL1 (0.52) L3MBTL1AURKAGSK3AGSK3BNR3C2
SCHEMBL23015674 0.83 NR3C2 (0.55) L3MBTL1NR3C2PIK3C3MAPK14
SCHEMBL21847287 0.83 L3MBTL1 (0.50) L3MBTL1AURKAGSK3AGSK3BNR3C2
SCHEMBL30893838 0.83 L3MBTL1 (0.50) L3MBTL1AURKAGSK3AGSK3BNR3C2
SCHEMBL4309482 0.83 L3MBTL1 (0.50) L3MBTL1AURKAGSK3AGSK3BNR3C2
SCHEMBL2642714 0.83 LOXL2 (0.58) L3MBTL1AURKAGSK3AGSK3BNR3C2
Hydrochloric Acid SCHEMBL17161867 0.82 L3MBTL1 (0.49) L3MBTL1AURKAGSK3AGSK3BNR3C2

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 L3MBTL1 4342/4885AURKA 3856/4885GSK3A 1926/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 L3MBTL1 4359/4885AURKA 3901/4885GSK3A 1871/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 L3MBTL1 4342/4885AURKA 3856/4885GSK3A 1926/4885

“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.