SCHEMBL2950143

SCHEMBL2950143

COc1ccc(-c2cc(-c3ccccc3C#N)cc(-n3ccccc3=O)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.43
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
PIK3CA P42336 1/20 0.38
JAK2 O60674 1/20 0.38
GABRA1 P14867 4/20 0.37
GABRG2 P18507 4/20 0.37
GABRB3 P28472 4/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
GRM2 Q14416 1/20 0.37
FYN P06241 1/20 0.36
USP30 Q70CQ3 1/20 0.36
RIOK2 Q9BVS4 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
HSD17B1 P14061 1/20 0.36

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
SCHEMBL3976462 0.82 PIK3CG (0.41) GRM2GRIN1GRIN2B
SCHEMBL2921712 0.82 TGFBR1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3667717 0.82 PGR (0.44) GRIN1GRIN2B
SCHEMBL2950144 0.79 AVPR2 (0.44) AVPR2OXTRAVPR1AFYNRIOK2
SCHEMBL31264203 0.78 AVPR2 (0.55) AVPR2OXTRAVPR1AJAK2GABRG2
SCHEMBL3672704 0.77 GABRG2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2918046 0.76 GRIA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
Water SCHEMBL4777578 0.76 GRIA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1884925 0.76 GRIA1 (0.61) AVPR2OXTRAVPR1APIK3CAGABRA1
SCHEMBL3681524 0.76 CYP11B1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3

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 2 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
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 AVPR2 2171/4885OXTR 3781/4885AVPR1A 3859/4885

“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.