SCHEMBL3322267

SCHEMBL3322267

COc1ccnc2c1nnc1c(C)nc(-c3cccnc3C)n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 20/20 1.00
PDE10A Q9Y233 20/20 1.00
PDE4A P27815 6/20 1.00
PDE4B Q07343 5/20 1.00
PDE4C Q08493 5/20 1.00
PDE4D Q08499 5/20 1.00
PDE6D O43924 7/20 0.65
PDE6A P16499 7/20 0.65
PDE6G P18545 7/20 0.65
PDE6B P35913 7/20 0.65
PDE6C P51160 7/20 0.65
PDE6H Q13956 7/20 0.65
PDE5A O76074 2/20 0.50
PDE11A Q9HCR9 2/20 0.50

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
SCHEMBL3320603 0.81 PDE2A (1.00) PDE2APDE10APDE4APDE4BPDE4C
SCHEMBL3321865 0.81 PDE2A (1.00) PDE2APDE10APDE4APDE4BPDE4C
SCHEMBL3322789 0.79 PDE10A (0.65) PDE2APDE10APDE4APDE4BPDE4C
SCHEMBL3320945 0.79 PDE2A (0.65) PDE2APDE10APDE4APDE4BPDE4C
SCHEMBL3326131 0.79 PDE10A (1.00) PDE2APDE10APDE4APDE4BPDE4C
SCHEMBL3328245 0.79 PDE2A (1.00) PDE2APDE10APDE4APDE4BPDE4C
SCHEMBL3325265 0.78 PDE10A (0.78) PDE2APDE10APDE4APDE4BPDE4C
SCHEMBL14774006 0.76 PDE2A (0.62) PDE2APDE10APDE4APDE4BPDE4C
SCHEMBL3326367 0.76 PDE2A (0.77) PDE2APDE10APDE4APDE4BPDE4C
SCHEMBL3318647 0.76 PDE2A (0.74) PDE2APDE10APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010054253-A1 TRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO claimed
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
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
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US 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 PDE2A 1/4885PDE10A 13/4885PDE4A 9/4885

“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.