SCHEMBL20837066

SCHEMBL20837066

COc1ccc(CO)c2ocnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
NQO2 P16083 2/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DPP4 P27487 1/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
GSK3B P49841 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL20837299 0.84 NQO2 (0.37) NQO2ALDH1A1KDM4EMAOAMAOB
SCHEMBL20837283 0.76 NQO2 (0.41) NQO2ALDH1A1KDM4EHPGDMAOA
SCHEMBL20837263 0.75 ALDH1A1 (0.43) MCL1NQO2ALDH1A1KDM4EHPGD
SCHEMBL6952678 0.75 NQO2 (0.49) NQO2ALDH1A1KDM4EHPGDLMNA
SCHEMBL20837272 0.75 NQO2 (0.40) NQO2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL20837398 0.73 LMNA (0.49) NQO2PDE4APDE4BPDE4CPDE4D
SCHEMBL6953728 0.73 TDP1 (0.45) NQO2ALDH1A1KDM4EHPGDLMNA
SCHEMBL20837137 0.72 NNMT (0.40) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL30553608 0.72 PDE4D (0.44) PDE4DHPGDGSK3BKMT2ANPC1
SCHEMBL20837396 0.71 ALDH1A1 (0.44) NQO2ALDH1A1KDM4EMAOAMAOB

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 MCL1 4424/4885NQO2 53/4885PDE4A 118/4885
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF NLRP3, NLRP1, P2RX7 MCL1 4424/4885NQO2 53/4885PDE4A 118/4885

“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.