SCHEMBL3322595

SCHEMBL3322595

COc1ccc2nnc3c(C)nc(-c4cnn(C)c4)n3c2n1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.65
PDE2A O00408 18/20 0.65
PDE6D O43924 6/20 0.59
PDE6A P16499 6/20 0.59
PDE6G P18545 6/20 0.59
PDE6B P35913 6/20 0.59
PDE6C P51160 6/20 0.59
PDE6H Q13956 6/20 0.59
PDE3B Q13370 4/20 0.57
PDE3A Q14432 4/20 0.57
PDE4A P27815 2/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55

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
SCHEMBL4113567 0.84 PDE10A (0.68) PDE10APDE2APDE3APDE4A
SCHEMBL3320907 0.81 PDE10A (0.76) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL13334783 0.81 PDE10A (0.73) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3326386 0.80 PDE10A (0.70) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3325546 0.79 PDE10A (0.78) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3320916 0.79 PDE10A (0.73) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3322537 0.79 PDE10A (1.00) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3319252 0.78 PDE10A (0.69) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3320182 0.78 PDE10A (1.00) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3320416 0.77 PDE10A (0.63) PDE10APDE2APDE6DPDE6APDE6G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US claimed
WO-2010054253-A1 TRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 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-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 PDE10A 13/4885PDE2A 1/4885PDE6D 106/4885

“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.