SCHEMBL20564656

SCHEMBL20564656

COc1ccc(COc2nc(-c3cn[nH]c3)nc(C)c2C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
NR4A2 P43354 1/20 0.39
PTGDR Q13258 1/20 0.39
CNR2 P34972 4/20 0.37
CNR1 P21554 2/20 0.37
ROCK2 O75116 3/20 0.37
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
ROCK1 Q13464 2/20 0.36
BCHE P06276 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 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
SCHEMBL20564322 0.77 CNR2 (0.43) CNR2CNR1GABRA1GABRG2GABRB3
SCHEMBL20564803 0.74 RXRA (0.38) RXRANR4A2ROCK2GABRA1GABRG2
SCHEMBL20564206 0.73 HSP90AA1 (0.43) RXRANR4A2CNR2CNR1GABRA1
SCHEMBL20565338 0.70 GABRA1 (0.38) RXRANR4A2CNR2CNR1GABRA1
SCHEMBL501385 0.69 MAOB (0.42) RXRACNR2CNR1BCHEPDE2A
SCHEMBL20565000 0.69 RXRA (0.38) RXRANR4A2ROCK2ROCK1KDM5B
SCHEMBL17713692 0.68 APP (0.54) CNR2CNR1MAOB
SCHEMBL18097420 0.68 PDE2A (0.56) PTGDRROCK2ROCK1PDE2AKDR
SCHEMBL20564911 0.68 CYP11B1 (0.38) CNR2CNR1GABRA1GABRG2GABRB3
SCHEMBL20564303 0.68 MAOB (0.43) CNR2CNR1BCHEPDE2AMAOB

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-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
WO-2018213777-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-22 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 (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-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE KDM5A, KDM5B, KDM5C RXRA 2008/4885NR4A2 1114/4885PTGDR 4087/4885

“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.