SCHEMBL802201

SCHEMBL802201

O=C(CN1C(=O)c2ccccc2C1=O)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
TP53 P04637 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GRM5 P41594 5/20 0.56
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
HSD17B10 Q99714 2/20 0.53
PKM P14618 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
GSK3B P49841 1/20 0.53
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.50
NPC1 O15118 1/20 0.49

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
SCHEMBL3586705 0.83 SMN1; SMN2 (0.50) KDM4ETP53SMN1; SMN2L3MBTL1CA12
SCHEMBL10751592 0.76 RAB9A (0.65) KDM4ECA12CA9MEN1ALDH1A1
SCHEMBL2334167 0.75 CES2 (0.52) SMN1; SMN2L3MBTL1ALDH1A1KMT2AGSK3B
SCHEMBL30546567 0.74 GSK3B (0.75) KDM4ETP53SMN1; SMN2L3MBTL1CA12
SCHEMBL543706 0.74 GSK3B (0.75) KDM4ETP53SMN1; SMN2L3MBTL1CA12
SCHEMBL8940040 0.73 CA12 (0.73) KDM4ECA12CA9MEN1ALDH1A1
SCHEMBL2470002 0.73 CTNNB1 (0.71) SMN1; SMN2L3MBTL1ALDH1A1KMT2AGSK3B
SCHEMBL29355245 0.73 CES2 (0.64) SMN1; SMN2L3MBTL1GRM5ALDH1A1KMT2A
SCHEMBL253276 0.73 CES2 (0.64) SMN1; SMN2L3MBTL1GRM5ALDH1A1KMT2A
Methane SCHEMBL11813940 0.73 GSK3B (0.73) KDM4ETP53SMN1; SMN2L3MBTL1CA12

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318777-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2012-11-27 US disclosed
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER SAS (FR) 2012-03-22 US disclosed
US-8071627-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2011-12-06 US disclosed
US-7723363-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE SA (FR) 2010-05-25 US disclosed
US-7560567-B2 2-pyridinylethylbenzamide derivatives BAYER CROPSCIENCE S.A. (FR) 2009-07-14 US disclosed
US-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides BAYER CROPSCIENCE S.A. 2009-04-02 US disclosed
US-20070167491-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-07-19 US disclosed
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2007-05-24 US disclosed
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives BAYER SAS (FR) 2007-05-03 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 (5 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-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides PFAS, CYP4F2, FPGS KDM4E 883/4885TP53 4017/4885SMN1; SMN2 1308/4885
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS KDM4E 942/4885TP53 4586/4885SMN1; SMN2 3186/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 KDM4E 501/4885TP53 4662/4885SMN1; SMN2 3882/4885
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives CYP1A2, CYP4B1, CYP4F2 KDM4E 1150/4885TP53 4671/4885SMN1; SMN2 2328/4885
US-20070167491-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS KDM4E 942/4885TP53 4586/4885SMN1; SMN2 3186/4885

“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.