SCHEMBL31347653

SCHEMBL31347653

O=c1c2nc(Cl)ncc2c2ccccc2n1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.39
TET2 Q6N021 1/20 0.39
TET1 Q8NFU7 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 4/20 0.36
MAT2A P31153 1/20 0.36
ATM Q13315 2/20 0.36
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
MGLL Q99685 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL21995291 1.00 PDE10A (0.40) PDE10AKMT2ATHRBTET2TET1
SCHEMBL22056700 0.83 KMT2A (0.41) PDE10AKMT2ATHRBTET2TET1
SCHEMBL21995357 0.83 KMT2A (0.41) PDE10AKMT2ATHRBMEN1GAA
SCHEMBL22056701 0.79 KMT2A (0.46) KMT2AMEN1GAAATMALDH1A1
SCHEMBL22056836 0.77 CDK4 (0.40) MAT2A
SCHEMBL12496048 0.77 KDM4E (0.46) PDE10AKMT2ATET2TET1MEN1
SCHEMBL24182573 0.76 RXFP1 (0.39) PDE10AKMT2ATHRBMEN1GAA
SCHEMBL21351383 0.75 ATM (0.41) PDE10AKMT2AMEN1GAAMAPT
SCHEMBL21636122 0.74 KMT2A (0.52) PDE10AKMT2AMEN1GAAATM
SCHEMBL14933478 0.74 KMT2A (0.47) PDE10AKMT2AMEN1GAAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12250880-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2025-03-11 US 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-12250880-B2 Compounds for electronic devices ETV6, CYP2C19, ESR1 PDE10A 2563/4885KMT2A 1896/4885THRB 4522/4885

“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.