SCHEMBL4160983

SCHEMBL4160983

CCCc1nc(C)c2c(C#N)nc3ccc(F)cc3n12.COc1ccc2nc(C#N)c3c(C)nc(C4CCCCC4)n3c2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.52
PDE2A O00408 5/20 0.36
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE11A Q9HCR9 1/20 0.35
PDE7B Q9NP56 1/20 0.35
ALOX5AP P20292 1/20 0.34
CYP11B2 P19099 1/20 0.33
CTSK P43235 3/20 0.32
CTSS P25774 2/20 0.32

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
SCHEMBL3659601 0.87 PDE10A (0.67) PDE10APDE2AALOX5AP
SCHEMBL3665849 0.84 PDE10A (0.46) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL3661392 0.82 PDE10A (0.58) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL968810 0.76 PDE10A (0.62) PDE10APDE2APDE7APDE11AALOX5AP
SCHEMBL970420 0.74 PDE10A (0.55) PDE10APDE2ACYP11B2
SCHEMBL969451 0.73 PDE10A (0.60) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL970074 0.73 PDE10A (0.52) PDE10APDE2AALOX5APCYP11B2
SCHEMBL971116 0.71 PDE10A (0.61) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL970643 0.71 PDE10A (0.57) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL968377 0.70 PDE10A (0.46) PDE10APDE2ACYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143391-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-20090143391-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.