SCHEMBL971045

SCHEMBL971045

Cc1nc(C2CCCCC2)n2c1c(Cl)nc1ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.47
ALOX5 P09917 2/20 0.43
PDE2A O00408 6/20 0.42
PTPN1 P18031 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP11B1 P15538 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
SCHEMBL968420 0.93 PDE10A (0.55) PDE10AALOX5PDE2APTPN1
SCHEMBL970001 0.88 PDE10A (0.46) PDE10APDE2ACYP11B1
SCHEMBL970420 0.78 PDE10A (0.55) PDE10APDE2ACYP11B1
SCHEMBL972907 0.77 CSF1R (0.43) PDE10APDE2AMEN1KMT2A
SCHEMBL968810 0.76 PDE10A (0.62) PDE10APDE2ACYP11B1
SCHEMBL968377 0.74 PDE10A (0.46) PDE10APDE2AMAPTCYP11B1
SCHEMBL970074 0.72 PDE10A (0.52) PDE10APDE2ACYP11B1
SCHEMBL971047 0.72 RAB9A (0.58) PDE10APDE2APTPN1MEN1MAPT
SCHEMBL972747 0.71 PDE10A (0.51) PDE10APDE2A
SCHEMBL11161726 0.71 PDE10A (0.36) PDE10AALOX5MEN1RAB9AKMT2A

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 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
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 3/4885ALOX5 1095/4885PDE2A 6/4885

“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.