SCHEMBL2964609

SCHEMBL2964609

COc1ccc(-c2ccccc2C#N)cc1-c1cc(-c2ccccc2C#N)c(=O)n(-c2cccnc2)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.53
GRIA3 P42263 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE10A Q9Y233 1/20 0.39
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
STK10 O94804 1/20 0.39
SLK Q9H2G2 1/20 0.39

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
SCHEMBL1890962 0.93 GRIA1 (0.56) GRIA1GRIA3PDE4DPDE10A
SCHEMBL1879629 0.82 GRIA1 (0.62) GRIA1GRIA3PDE4D
SCHEMBL1887365 0.82 GRIA1 (0.65) GRIA1GRIA3PDE4D
SCHEMBL1889734 0.82 GRIA1 (0.62) GRIA1GRIA3PDE4D
SCHEMBL1879806 0.81 GRIA1 (0.66) GRIA1GRIA3PDE4D
SCHEMBL1883292 0.80 GRIA1 (0.57) GRIA1GRIA3PDE4DPDE10A
SCHEMBL1883356 0.80 GRIA1 (0.57) GRIA1GRIA3PDE4D
SCHEMBL1884921 0.80 PDE4D (0.59) GRIA1GRIA3PDE4D
SCHEMBL1881526 0.79 GRIA1 (0.67) GRIA1GRIA3PDE4D
SCHEMBL30477202 0.79 GRIA1 (0.67) GRIA1GRIA3PDE4D

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.