SCHEMBL972517

SCHEMBL972517

COc1cc(F)cc(-n2cc(C)nc2-c2ccncc2C)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.46
PDE2A O00408 13/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
PDE4D Q08499 2/20 0.39
KCNH2 Q12809 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE11A Q9HCR9 1/20 0.36
PDE6D O43924 3/20 0.35
PDE6A P16499 3/20 0.35
PDE6G P18545 3/20 0.35
PDE6B P35913 3/20 0.35
PDE6C P51160 3/20 0.35
PDE6H Q13956 3/20 0.35
MAPT P10636 2/20 0.35
APP P05067 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
CCNT1 O60563 1/20 0.34

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
SCHEMBL3326303 0.88 PDE2A (0.48) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL12947957 0.82 PDE10A (0.47) PDE10APDE2AADORA2AADORA1PDE4D
SCHEMBL3327391 0.81 PDE10A (0.51) PDE10APDE2APDE11APDE6DPDE6A
SCHEMBL969708 0.81 PDE2A (0.45) PDE10APDE2APDE11APDE6DPDE6A
SCHEMBL973324 0.79 PDE2A (0.44) PDE10APDE2AADORA2AADORA1PDE4D
SCHEMBL968700 0.78 KMT2A (0.33) MAPTSMN1; SMN2
SCHEMBL3325055 0.74 PDE10A (0.43) PDE10APDE2APDE11APDE6DPDE6A
SCHEMBL969679 0.73 RXFP1 (0.41) PDE10APDE2APDE4DPDE6DPDE6A
SCHEMBL3326278 0.70 PDE2A (0.52) PDE10APDE2AADORA2AADORA1PDE4D
SCHEMBL3325861 0.69 PSEN1 (0.43) KCNH2

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 7 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 disclosed
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
EP-2225248-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 Wyeth LLC (US) 2010-09-08 EP disclosed
WO-2009070584-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO disclosed
WO-2009070584-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO 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
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 6/4885ADORA2A 668/4885

“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.