SCHEMBL969867

SCHEMBL969867

COc1ccc2nc(C)c3c(C)nc(-c4cccc(C(N)=O)c4)n3c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.68
PDE2A O00408 3/20 0.68
PDE5A O76074 1/20 0.68
PDE7A Q13946 1/20 0.68
PDE11A Q9HCR9 1/20 0.68
PDE4D Q08499 1/20 0.53
PDE3A Q14432 1/20 0.53
PARP1 P09874 2/20 0.47
ALOX5AP P20292 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CHEK2 O96017 1/20 0.43
P2RX3 P56373 1/20 0.42
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
MAPT P10636 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HPGDS O60760 1/20 0.40
PIK3CA P42336 1/20 0.40

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
SCHEMBL968915 0.89 PDE10A (0.59) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL968997 0.85 PDE10A (0.64) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL969607 0.85 PDE2A (0.61) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL968812 0.81 PDE10A (0.61) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL969664 0.81 PDE10A (0.54) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL4116899 0.81 PDE10A (1.00) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL970680 0.77 PDE10A (0.58) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL970075 0.75 PDE2A (0.51) PDE10APDE2APDE5APDE11AKDM4E
SCHEMBL972146 0.73 PDE10A (0.53) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL969474 0.72 PDE10A (0.72) PDE10APDE2APDE5APDE7APDE11A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875618-B2 8-chloro-3,4-dimethyl-1-(2- methylphenyl)imidazo[1,5- a]quinoxaline; inhibitors of phosphodiesterase 10; for treatment of central nervous system disorders (cognitive deficits, social phobia, reduced vigilance, obesity and psychosis) WYETH (US) 2011-01-25 US claimed
EP-2225248-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 Wyeth LLC (US) 2010-09-08 EP claimed
WO-2009070584-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO claimed
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 US claimed
US-7875618-B2 8-chloro-3,4-dimethyl-1-(2- methylphenyl)imidazo[1,5- a]quinoxaline; inhibitors of phosphodiesterase 10; for treatment of central nervous system disorders (cognitive deficits, social phobia, reduced vigilance, obesity and psychosis) WYETH (US) 2011-01-25 US disclosed
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 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-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 PDE12, PDE5A, PDE10A PDE10A 3/4885PDE2A 6/4885PDE5A 2/4885

“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.