SCHEMBL4118744

SCHEMBL4118744

COc1ccc2[nH]c(=O)c3c(C)ncn3c2n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.55
PDE2A O00408 10/20 0.37
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
PDE5A O76074 2/20 0.35
PDE4A P27815 2/20 0.35
PDE7A Q13946 2/20 0.35
PDE3A Q14432 2/20 0.35
PDE11A Q9HCR9 2/20 0.35
RIOK2 Q9BVS4 1/20 0.35
PDE4D Q08499 1/20 0.34
PDE7B Q9NP56 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
SCHEMBL3993192 0.83 PDE10A (0.43) PDE10APDE2ASIRT2SIRT1RIOK2
SCHEMBL4112388 0.73 PDE10A (0.79) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL8569938 0.73 PARP1 (0.49) PDE10APDE2ASIRT2SIRT1PDE5A
SCHEMBL8052050 0.72 PDE10A (0.63) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL4113564 0.70 PDE10A (0.73) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL7981200 0.69 POLB (0.51) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL4106503 0.69 PDE10A (0.49) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL2272021 0.68 KDM4E (0.55) PDE2ASIRT2SIRT1PDE3A
SCHEMBL29235254 0.68 HCAR1 (0.40) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL31554104 0.68 ALDH1A1 (0.44)

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 5 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 disclosed
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 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
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 4/4885SIRT2 1312/4885

“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.