SCHEMBL2953696

SCHEMBL2953696

Cc1cccnc1-c1cc(-c2ccccc2C#N)c(=O)n(-c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.70
GRIA3 P42263 1/20 0.70
PDE4D Q08499 1/20 0.70
TRPV1 Q8NER1 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL1892257 0.87 GRIA1 (0.70) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL1884829 0.87 GRIA1 (0.70) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL1882537 0.84 GRIA1 (0.79) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL1884520 0.84 GRIA1 (0.65) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL1887596 0.84 GRIA1 (0.65) GRIA1GRIA3PDE4DMEN1LMNA
SCHEMBL1890011 0.83 GRIA1 (0.62) GRIA1GRIA3PDE4DTRPV1GABRA1
SCHEMBL1882398 0.83 GRIA1 (0.62) GRIA1GRIA3PDE4DTRPV1LMNA
Perampanel SCHEMBL194370 0.82 GRIA1 (1.00) GRIA1GRIA3PDE4DGABRA1GABRG2
Perampanel SCHEMBL2857277 0.82 GRIA1 (1.00) GRIA1GRIA3PDE4DGABRA1GABRG2
Perampanel SCHEMBL4214584 0.82 GRIA1 (1.00) GRIA1GRIA3PDE4DGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759367-B2 1,2-dihydropiridin-2-one compounds such as 3-(2-cyanophenyl)-1-phenyl-5-(2-pyridyl)-1,2-dihydropyridin-2-one, used as immunomodulators or antiinflammatory agents, and for the prevention or treatment of neurodegenerative diseases, such as demyelinating disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-07-20 US disclosed
EP-1465626-B1 PHARMACEUTICAL COMPOSITIONS (KIT) COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY (OR AN ANTIINFLAMMATORY) AGENT AND THEIR USES EISAI R&D MAN CO LTD (JP) 2008-09-03 EP disclosed
US-20060100249-A1 Pharmaceutical compositions comprising dihydropyridinone compounds and an immunoregulatory or an antiinflammatory agent and their uses EISAI R & D MANAGEMENT CO., LTD. (JP) 2006-05-11 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 (1 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-20060100249-A1 Pharmaceutical compositions comprising dihydropyridinone compounds and an immunoregulatory or an antiinflammatory agent and their uses QDPR, PMP22, MAG GRIA1 449/4885GRIA3 663/4885PDE4D 679/4885

“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.