SCHEMBL20564797

SCHEMBL20564797

COc1ccc(COc2nc(Cl)nc(OCc3cccnc3)c2C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ACACB O00763 1/20 0.40
GAA P10253 1/20 0.40
NR1D1 P20393 2/20 0.39
CYP17A1 P05093 1/20 0.39
NR1H3 Q13133 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
LMNA P02545 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL20957936 0.90 RAB9A (0.39) SMN1; SMN2NPC1RAB9AGAACYP17A1
SCHEMBL20564303 0.82 MAOB (0.43) HTTSMN1; SMN2NPC1RAB9ACNR1
SCHEMBL20564322 0.81 CNR2 (0.43) SMN1; SMN2NPC1RAB9AGAACNR1
SCHEMBL20980452 0.77 CYP17A1 (0.41) NPC1RAB9ACYP17A1CNR1CNR2
SCHEMBL8361615 0.76 MAPK1 (0.56) HTTSMN1; SMN2MAPK1HTR1ADRD2
SCHEMBL9987333 0.75 MAOB (0.44) SMN1; SMN2NPC1RAB9ACNR1CNR2
SCHEMBL23531902 0.74 MAPK1 (0.44) HTTSMN1; SMN2MAPK1HTR1ADRD2
SCHEMBL501385 0.73 MAOB (0.42) SMN1; SMN2NPC1RAB9AGAACNR1
SCHEMBL20565319 0.73 CSF1R (0.48) CNR1CNR2
SCHEMBL31138541 0.72 CNR2 (0.48) HTTNPC1RAB9ACYP17A1CNR1

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 HTT 1611/4885SMN1; SMN2 2544/4885MAPK1 2055/4885

“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.