SCHEMBL2950144

SCHEMBL2950144

COc1ccc(-c2cc(-c3ccccc3C#N)cc(-c3ccc[nH]c3=O)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.44
OXTR P30559 1/20 0.44
AVPR1A P37288 1/20 0.44
MCL1 Q07820 1/20 0.41
RIOK2 Q9BVS4 4/20 0.39
PDE9A O76083 1/20 0.38
MAP3K11 Q16584 1/20 0.37
TRPA1 O75762 1/20 0.37
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
SYK P43405 1/20 0.36
OTUD7B Q6GQQ9 2/20 0.36
ERN1 O75460 1/20 0.35
TDO2 P48775 1/20 0.35
FYN P06241 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
SCHEMBL31264203 0.80 AVPR2 (0.55) AVPR2OXTRAVPR1ATRPA1HSD17B1
SCHEMBL2950143 0.79 AVPR2 (0.43) AVPR2OXTRAVPR1ARIOK2PDE9A
SCHEMBL4463772 0.75 GRIA1 (0.50) MCL1TRPA1PRMT5WDR77
SCHEMBL1884925 0.71 GRIA1 (0.61) AVPR2OXTRAVPR1ARIOK2
SCHEMBL5992119 0.67 MCL1 (0.43) MCL1PRMT5WDR77
SCHEMBL20329653 0.66 KDM4E (0.49) AVPR2OXTRAVPR1AHSD17B1HSD17B2
SCHEMBL30607647 0.65 CNR2 (0.53) AVPR2OXTRAVPR1AHSD17B1HSD17B2
SCHEMBL31174412 0.64 CYP2A6 (0.68) HSD17B1HSD17B2ERN1TDO2FYN
SCHEMBL3754419 0.64 CYP2A6 (0.68) HSD17B1HSD17B2ERN1TDO2FYN
SCHEMBL5558730 0.64 HSD17B1 (0.60) HSD17B1HSD17B2

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.