SCHEMBL3659601

SCHEMBL3659601

COc1ccc2nc(C#N)c3c(C)nc(C4CCCCC4)n3c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.67
PDE2A O00408 2/20 0.41
CNR2 P34972 3/20 0.39
MEN1 O00255 3/20 0.38
MAPK1 P28482 3/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
KMT2A Q03164 3/20 0.38
ALOX15 P16050 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
PABPC1 P11940 1/20 0.38
APEX1 P27695 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.36
RUNX1 Q01196 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
SCHEMBL968810 0.88 PDE10A (0.62) PDE10APDE2ACNR2KDM4EALDH1A1
SCHEMBL4160983 0.87 PDE10A (0.52) PDE10APDE2AALOX5AP
SCHEMBL970074 0.84 PDE10A (0.52) PDE10APDE2ACNR2ALOX5AP
SCHEMBL4123874 0.80 PDE10A (1.00) PDE10APDE2A
SCHEMBL3654534 0.78 PDE10A (0.48) PDE10APDE2ACNR2
SCHEMBL972747 0.77 PDE10A (0.51) PDE10APDE2AALOX5AP
SCHEMBL3659604 0.76 PDE10A (0.48) PDE10APDE2AMEN1MAPK1KMT2A
SCHEMBL973298 0.73 IGF1R (0.43) PDE10APDE2AALOX5AP
SCHEMBL968420 0.72 PDE10A (0.55) PDE10APDE2A
SCHEMBL970420 0.72 PDE10A (0.55) PDE10APDE2A

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
EP-2227472-A1 ARYL AND HETEROARYL FUSED IMIDAZO (1,5-A) PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 Elbion Gmbh (DE) 2010-09-15 EP claimed
WO-2009068320-A1 ARYL AND HETEROARYL FUSED IMIDAZO (1,5-A) PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 WO claimed
US-20090143391-A1 Aryl and heteroaryl fused imidazo [1,5-a] pyrazines as inhibitors of phosphodiesterase 10 ELBION GMBH (DE) 2009-06-04 US claimed

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-20090143391-A1 Aryl and heteroaryl fused imidazo [1,5-a] pyrazines as inhibitors of phosphodiesterase 10 PDE12, PDE5A, PDE10A PDE10A 3/4885PDE2A 6/4885CNR2 1953/4885

“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.