SCHEMBL972749

SCHEMBL972749

Cc1nc(-c2ccccc2)n2c1c(C)nc1ccc(OCC3CC3)cc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.50
PDE10A Q9Y233 6/20 0.49
PDE7A Q13946 1/20 0.41
PDE11A Q9HCR9 1/20 0.41
KHK P50053 1/20 0.40
ACACB O00763 1/20 0.39
CXCR1 P25024 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL973299 0.92 PDE2A (0.45) PDE2APDE10AKHKACACBCXCR1
SCHEMBL3661860 0.88 PDE2A (0.43) PDE2APDE10APDE11AACACB
SCHEMBL968812 0.81 PDE10A (0.61) PDE2APDE10APDE7APDE11A
SCHEMBL970101 0.80 PDE10A (0.47) PDE2APDE10APDE7APDE11A
SCHEMBL972747 0.79 PDE10A (0.51) PDE2APDE10AACACB
SCHEMBL970421 0.73 PDE10A (0.71) PDE2APDE10APDE7A
SCHEMBL968422 0.73 RAB9A (0.60) PDE2APDE10A
SCHEMBL971191 0.72 PDE2A (0.41) PDE2APDE10APDE7APDE11AACACB
SCHEMBL970075 0.72 PDE2A (0.51) PDE2APDE10APDE11A
SCHEMBL3659604 0.72 PDE10A (0.48) PDE2APDE10APDE11A

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 4 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
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 PDE2A 6/4885PDE10A 3/4885PDE7A 5/4885

“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.