SCHEMBL2642695

SCHEMBL2642695

CC(=O)c1ccc(C[NH])cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 6/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNJ1 P48048 1/20 0.41

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
SCHEMBL14651299 0.82 P4HTM (0.47) P4HTMALDH1A1KMT2ATSHRKDM4E
SCHEMBL622903 0.82 L3MBTL1 (0.50) P4HTMALDH1A1KMT2ATSHRKDM4E
SCHEMBL6138523 0.81 MAPT (0.46) P4HTMALDH1A1KMT2ATSHRKDM4E
SCHEMBL30024604 0.81 P4HTM (0.46) P4HTMALDH1A1KMT2ATSHRKDM4E
SCHEMBL2642447 0.81 KMT2A (0.49) P4HTMALDH1A1KMT2ATSHRKDM4E
SCHEMBL9249692 0.81 P4HTM (0.46) P4HTMALDH1A1KMT2ATSHRKDM4E
SCHEMBL2642696 0.81 P4HTM (0.46) P4HTMALDH1A1KMT2ATSHRKDM4E
SCHEMBL7995510 0.81 P4HTM (0.46) P4HTMALDH1A1KMT2ATSHRKDM4E
SCHEMBL17682180 0.81 P4HTM (0.46) P4HTMALDH1A1KMT2ATSHRKDM4E
SCHEMBL2642500 0.80 PARP1 (0.50) P4HTMALDH1A1KMT2ATSHRKDM4E

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 P4HTM 2758/4885ALDH1A1 1207/4885KMT2A 1297/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 P4HTM 2891/4885ALDH1A1 1249/4885KMT2A 1311/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 P4HTM 2758/4885ALDH1A1 1207/4885KMT2A 1297/4885

“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.