SCHEMBL23910083

SCHEMBL23910083

COCc1cccc(-c2cccc(C)c2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 15/20 0.48
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
KDM4E B2RXH2 2/20 0.44
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL21367487 0.84 CD274 (0.58) CD274
SCHEMBL10351965 0.79 ALDH1A1 (0.46) CD274KDM4EL3MBTL1ALDH1A1GAA
SCHEMBL20147802 0.78 ADORA1 (0.52) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL18406701 0.76 ADORA2A (0.51) ADORA2AADORA1KDM4EL3MBTL1ALDH1A1
SCHEMBL20356610 0.76 CD274 (0.64) CD274KDM4EALDH1A1GAA
SCHEMBL13074967 0.76 KDM4E (0.48) KDM4EL3MBTL1ALDH1A1GAAHPGD
SCHEMBL15456146 0.73 ADRA2C (0.45) CD274ADORA2AADORA1FFAR1FFAR4
SCHEMBL15680092 0.73 KDM4E (0.45) CD274KDM4EL3MBTL1ALDH1A1GAA
SCHEMBL30825314 0.72 ALDH1A1 (0.54) ADORA2AADORA1KDM4EL3MBTL1ALDH1A1
SCHEMBL20237969 0.71 HTR2A (0.44) CD274KDM4EL3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 CD274 4563/4885ADORA2A 2795/4885ADORA1 1999/4885

“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.