SCHEMBL2642500

SCHEMBL2642500

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.50
PIP5K1C O60331 1/20 0.43
PIK3CA P42336 1/20 0.43
PI4KA P42356 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
P4HTM Q9NXG6 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
TSHR P16473 2/20 0.41
THPO P40225 2/20 0.41
PMP22 Q01453 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 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
SCHEMBL26970993 0.84 PARP1 (0.51) PARP1PIP5K1CPIK3CAPI4KAPI4KB
SCHEMBL30027907 0.84 PARP1 (0.51) PARP1PIP5K1CPIK3CAPI4KAPI4KB
SCHEMBL16597438 0.84 PARP1 (0.51) PARP1PIP5K1CPIK3CAPI4KAPI4KB
SCHEMBL12561176 0.84 PLK1 (0.55) PARP1PIP5K1CPIK3CAPI4KAPI4KB
SCHEMBL26970992 0.83 PARP1 (0.50) PARP1PIP5K1CPIK3CAPI4KAPI4KB
SCHEMBL2642502 0.83 PARP1 (0.50) PARP1PIP5K1CPIK3CAPI4KAPI4KB
SCHEMBL24670201 0.81 PLK1 (0.57) PARP1PIP5K1CPIK3CAPI4KAPI4KB
Hydrochloric Acid SCHEMBL17091245 0.81 PARP1 (0.49) PARP1PIP5K1CPIK3CAPI4KAPI4KB
SCHEMBL2642695 0.80 P4HTM (0.46) P4HTMKDM4EALDH1A1LMNACYP1A2
SCHEMBL24956361 0.80 PARP1 (0.48) PARP1PIP5K1CPIK3CAPI4KAPI4KB

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 PARP1 3678/4885PIP5K1C 724/4885PIK3CA 1396/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 PARP1 3629/4885PIP5K1C 757/4885PIK3CA 1426/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 PARP1 3678/4885PIP5K1C 724/4885PIK3CA 1396/4885

“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.