SCHEMBL4123874

SCHEMBL4123874

COc1ccc2nc(C#N)c3c(C)nc(C4CCCCC4)n3c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 1.00
PDE2A O00408 5/20 0.57
PDE5A O76074 3/20 0.42
PDE7A Q13946 3/20 0.42
PDE11A Q9HCR9 3/20 0.42
PDE4A P27815 2/20 0.42
PDE3A Q14432 2/20 0.42
PDE4D Q08499 1/20 0.42
PDE7B Q9NP56 1/20 0.42

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
SCHEMBL13816961 0.88 PDE10A (1.00) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL4112068 0.84 PDE10A (0.83) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL13816962 0.81 PDE10A (0.88) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL3659601 0.80 PDE10A (0.67) PDE10APDE2A
SCHEMBL4107756 0.78 PDE10A (0.71) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL4125509 0.78 PDE10A (0.75) PDE10APDE2APDE5APDE11APDE3A
SCHEMBL13334756 0.78 PDE10A (0.72) PDE10APDE2APDE4APDE3APDE4D
SCHEMBL4132632 0.75 PDE10A (0.66) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL4129550 0.74 PDE10A (0.80) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL4128258 0.73 PDE10A (0.69) PDE10APDE2APDE5APDE7APDE11A

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.