SCHEMBL20837396

SCHEMBL20837396

COc1ccc(C#N)c2ocnc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
AR P10275 7/20 0.37
HPGDS O60760 1/20 0.37
NQO2 P16083 1/20 0.37
SLC6A3 Q01959 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
GAA P10253 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL20837283 0.76 NQO2 (0.41) ALDH1A1KDM4ENQO2MAOA
SCHEMBL20837272 0.75 NQO2 (0.40) ALDH1A1IMPDH2IMPDH1KDM4ENQO2
SCHEMBL6952678 0.75 NQO2 (0.49) ALDH1A1KDM4ENQO2
SCHEMBL20837263 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2NQO2GAA
SCHEMBL22439179 0.74 SCN9A (0.39) AR
SCHEMBL22439194 0.73 ALDH1A1 (0.42) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL31330696 0.73 ALDH1A1 (0.49) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL20837299 0.71 NQO2 (0.37) ALDH1A1KDM4ENQO2MAOAMAOB
SCHEMBL20837066 0.71 MCL1 (0.38) ALDH1A1KDM4ENQO2MAOAMAOB
SCHEMBL20837063 0.71 KDM4E (0.33) ALDH1A1IMPDH2IMPDH1KDM4EUSP2

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-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof ADURO BIOTECH INC. (US) 2020-08-11 US disclosed
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF CHINOOK THERAPEUTICS, INC. 2019-04-25 US disclosed
WO-2019055750-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF Aduro Biotech, Inc. (US) 2019-03-21 WO 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 (2 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-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof NLRP3, NLRP1, P2RX7 ALDH1A1 1246/4885IMPDH2 1313/4885IMPDH1 1452/4885
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF NLRP3, NLRP1, P2RX7 ALDH1A1 1246/4885IMPDH2 1313/4885IMPDH1 1452/4885

“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.