SCHEMBL971040

SCHEMBL971040

Cc1ccncc1-c1nc(C)c2c(C)nc3ccc(F)cc3n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 1.00
PDE2A O00408 14/20 0.74
PDE7A Q13946 3/20 0.60
PDE11A Q9HCR9 2/20 0.57
PDE5A O76074 2/20 0.56
PDE3A Q14432 1/20 0.56
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52

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
SCHEMBL972184 0.90 PDE10A (1.00) PDE10APDE2APDE7APDE11AADORA2A
SCHEMBL973026 0.86 PDE10A (0.75) PDE10APDE2APDE7APDE11APDE5A
SCHEMBL969970 0.85 PDE10A (1.00) PDE10APDE2APDE7APDE11APDE5A
SCHEMBL970261 0.84 PDE10A (1.00) PDE10APDE2APDE7APDE11APDE5A
SCHEMBL969614 0.83 PDE10A (1.00) PDE10APDE2APDE7APDE11APDE5A
SCHEMBL971635 0.83 PDE10A (1.00) PDE10APDE2APDE7APDE11APDE5A
SCHEMBL971184 0.82 PDE10A (1.00) PDE10APDE2APDE7APDE11APDE5A
SCHEMBL971703 0.82 PDE10A (0.69) PDE10APDE2APDE7APDE11APDE5A
SCHEMBL969619 0.82 PDE10A (1.00) PDE10APDE2APDE7APDE11APDE5A
SCHEMBL969578 0.81 PDE10A (1.00) PDE10APDE2APDE11APDE5AADORA2A

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 6/4885PDE7A 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.