SCHEMBL4129519

SCHEMBL4129519

Cc1nc(C2CCCCC2)n2c1c(NS(C)(=O)=O)nc1ccc(=O)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 15/20 0.44
PDE10A Q9Y233 4/20 0.43
PDE2A O00408 1/20 0.38
PDE5A O76074 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL3658808 0.78 PDE10A (0.43) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL4125509 0.77 PDE10A (0.75) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL3654534 0.77 PDE10A (0.48) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL4126505 0.74 PDE10A (0.57) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL3661859 0.73 PDE10A (0.41) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL3657690 0.69 PDE2A (0.47) PDE10APDE2A
SCHEMBL3657346 0.68 PDE10A (0.53) PDE10APDE2A
SCHEMBL4119915 0.64 HCAR1 (0.50) HCAR1
SCHEMBL968420 0.61 PDE10A (0.55) PDE10APDE2A
SCHEMBL970420 0.61 PDE10A (0.55) PDE10APDE2A

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 HCAR1 3333/4885PDE10A 10/4885PDE2A 4/4885

“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.