SCHEMBL3325568

SCHEMBL3325568

COc1cc(F)cc2c1nnc1c(C)nc(-c3cnccc3C)n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 1.00
PDE2A O00408 19/20 1.00
PDE6D O43924 10/20 0.79
PDE6A P16499 10/20 0.79
PDE6G P18545 10/20 0.79
PDE6B P35913 10/20 0.79
PDE6C P51160 10/20 0.79
PDE6H Q13956 10/20 0.79
PDE4A P27815 2/20 0.63
PDE4B Q07343 2/20 0.63
PDE4C Q08493 2/20 0.63
PDE4D Q08499 2/20 0.63
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61

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
SCHEMBL3329969 0.92 PDE2A (1.00) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3325445 0.88 PDE2A (1.00) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3323055 0.87 PDE2A (0.79) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3326093 0.87 PDE10A (1.00) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3326032 0.86 PDE2A (0.78) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3325222 0.85 PDE2A (0.86) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL971811 0.85 PDE10A (1.00) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3326795 0.84 PDE2A (0.73) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3326064 0.84 PDE2A (0.78) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3328986 0.83 PDE2A (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 US claimed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE 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-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE2A, PDE5A, PDE3A PDE10A 13/4885PDE2A 1/4885PDE6D 121/4885

“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.