SCHEMBL4126505

SCHEMBL4126505

Cc1nc(C2CCCCC2)n2c1c(NS(C)(=O)=O)nc1ccc(OCC3CC3)nc12

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 18/20 0.57
PDE2A O00408 1/20 0.51
PDE5A O76074 1/20 0.51
PDE3A Q14432 1/20 0.51
PDE11A Q9HCR9 1/20 0.51
SCN9A Q15858 1/20 0.35
ACACB O00763 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
SCHEMBL4125509 0.88 PDE10A (0.75) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL3661859 0.83 PDE10A (0.41) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL4127697 0.82 PDE10A (0.52) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL3654534 0.74 PDE10A (0.48) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL13816961 0.74 PDE10A (1.00) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL3658808 0.74 PDE10A (0.43) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL4129519 0.74 HCAR1 (0.44) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL4113074 0.71 PDE10A (0.47) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL3657346 0.70 PDE10A (0.53) PDE10APDE2A
SCHEMBL972747 0.69 PDE10A (0.51) PDE10APDE2AACACB

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
WO-2009070583-A1 PYRIDO[3,2-E]PYRAZINES, PROCESS FOR PREPARING THE SAME, AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO claimed
US-20090143361-A1 Pyrido[3,2-E]Pyrazines, Process For Preparing The Same, And Their Use As Inhibitors Of Phosphodiesterase 10 ELBION GMBH (DE) 2009-06-04 US claimed
US-20090143361-A1 Pyrido[3,2-E]Pyrazines, Process For Preparing The Same, And Their Use As Inhibitors Of Phosphodiesterase 10 ELBION GMBH (DE) 2009-06-04 US disclosed
US-20090143361-A1 Pyrido[3,2-E]Pyrazines, Process For Preparing The Same, And Their Use 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-20090143361-A1 Pyrido[3,2-E]Pyrazines, Process For Preparing The Same, And Their Use As Inhibitors Of Phosphodiesterase 10 PDE12, PDE5A, PDE3A PDE10A 10/4885PDE2A 4/4885PDE5A 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.