SCHEMBL2643516

SCHEMBL2643516

CCC(=O)c1cc(C[NH])ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CTSA P10619 2/20 0.34
KDM6B O15054 1/20 0.34
TET3 O43151 1/20 0.34
KDM4A O75164 1/20 0.34
BBOX1 O75936 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5C P41229 1/20 0.34
ASPH Q12797 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
TET2 Q6N021 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34
KDM8 Q8N371 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
SCHEMBL2643517 0.83 LOXL2 (0.52) SMYD3ALDH1A1KDM4ELOXL2NOS3
SCHEMBL2643689 0.82 ALDH1A1 (0.46) SMYD3ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL2642856 0.79 CYP4F2 (0.44) SMYD3ALDH1A1KDM4EMAPTLOXL2
SCHEMBL2642962 0.79 ALDH1A1 (0.40) SMYD3ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL2642931 0.78 PARP1 (0.50) SMYD3LOXL2PARP1
SCHEMBL30885027 0.77 UHRF1 (0.43) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL31680913 0.77 HSP90AB1 (0.47) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL2643034 0.77 UHRF1 (0.43) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL2642930 0.77 ALDH1A1 (0.41) SMYD3ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL2642934 0.75 ALDH1A1 (0.40) SMYD3ALDH1A1KDM4EMAPTL3MBTL1

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 SMYD3 3443/4885ALDH1A1 1207/4885KDM4E 1304/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 SMYD3 3414/4885ALDH1A1 1249/4885KDM4E 1297/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 SMYD3 3443/4885ALDH1A1 1207/4885KDM4E 1304/4885

“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.