SCHEMBL2643689

SCHEMBL2643689

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LOXL2 Q9Y4K0 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
KDM6B O15054 1/20 0.36
TET3 O43151 1/20 0.36
KDM4A O75164 1/20 0.36
BBOX1 O75936 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5C P41229 1/20 0.36
ASPH Q12797 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
TET2 Q6N021 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
KDM7A Q6ZMT4 1/20 0.36
KDM8 Q8N371 1/20 0.36
TET1 Q8NFU7 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
FTO Q9C0B1 1/20 0.36

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
SCHEMBL1167120 0.83 RECQL (0.50) ALDH1A1LOXL2SMYD3KDM4EMAPT
SCHEMBL6173009 0.83 SMYD3 (0.51) ALDH1A1LOXL2SMYD3KDM4EMAPT
SCHEMBL2643516 0.82 SMYD3 (0.39) ALDH1A1LOXL2SMYD3KDM4EMAPT
SCHEMBL2642856 0.81 CYP4F2 (0.44) ALDH1A1LOXL2SMYD3KDM4EMAPT
SCHEMBL2643691 0.81 LOXL2 (0.55) ALDH1A1LOXL2SMYD3GABRPGABRD
SCHEMBL2642931 0.81 PARP1 (0.50) LOXL2SMYD3PARP1
SCHEMBL6172313 0.80 ALDH1A1 (0.44) ALDH1A1LOXL2SMYD3KDM4EMAPT
SCHEMBL13813279 0.80 ALDH1A1 (0.44) ALDH1A1LOXL2SMYD3KDM4EMAPT
SCHEMBL12501290 0.79 ALDH1A1 (0.43) ALDH1A1LOXL2SMYD3MAPTKDM5A
SCHEMBL12315306 0.79 ALDH1A1 (0.43) ALDH1A1LOXL2SMYD3KDM4EMAPT

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 6 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

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 ALDH1A1 1207/4885LOXL2 2232/4885SMYD3 3443/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 ALDH1A1 1249/4885LOXL2 2252/4885SMYD3 3414/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 ALDH1A1 1207/4885LOXL2 2232/4885SMYD3 3443/4885

“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.