SCHEMBL20564428

SCHEMBL20564428

COc1ccc(COc2nc(-n3cnc(CO)c3)nc(C)c2C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.36
CNR1 P21554 2/20 0.36
BCHE P06276 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
HRH4 Q9H3N8 1/20 0.34
ALKBH1 Q13686 1/20 0.34
P2RX7 Q99572 1/20 0.33
PDE2A O00408 1/20 0.33
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
MIF P14174 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL20564911 0.80 CYP11B1 (0.38) CNR2CNR1BCHEGABRA1GABRG2
SCHEMBL20564188 0.75 PDE3B (0.30)
SCHEMBL20564322 0.74 CNR2 (0.43) CNR2CNR1BCHEGABRA1GABRG2
SCHEMBL20564206 0.71 HSP90AA1 (0.43) CNR2CNR1BCHEGABRA1GABRG2
SCHEMBL20564743 0.71 HRH4 (0.36) CNR2CNR1BCHEGABRA1GABRG2
SCHEMBL20564651 0.70 CYP26A1 (0.47)
SCHEMBL20564189 0.69 CYP26A1 (0.49) SMN1; SMN2
SCHEMBL4425521 0.69 P2RX7 (0.55) P2RX7MIFRAB9ASMN1; SMN2
SCHEMBL20564907 0.69 KDM4E (0.41) CNR2CNR1
SCHEMBL20564656 0.67 RXRA (0.39) CNR2CNR1BCHEGABRA1GABRG2

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 CNR2 2908/4885CNR1 2906/4885BCHE 3049/4885

“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.