SCHEMBL3326303

SCHEMBL3326303

COc1cc(C(F)(F)F)cc(-n2cc(C)nc2-c2ccncc2C)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.48
PDE10A Q9Y233 8/20 0.48
PDE6D O43924 2/20 0.47
PDE6A P16499 2/20 0.47
PDE6G P18545 2/20 0.47
PDE6B P35913 2/20 0.47
PDE6C P51160 2/20 0.47
PDE6H Q13956 2/20 0.47
PDE7A Q13946 1/20 0.37
CYP1A2 P05177 2/20 0.36
METAP2 P50579 2/20 0.36
GPBAR1 Q8TDU6 7/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PTGS2 P35354 3/20 0.35
PDE11A Q9HCR9 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
SCHEMBL972517 0.88 PDE10A (0.46) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL3326278 0.84 PDE2A (0.52) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL3324746 0.79 PTGS2 (0.35) PTGS2
SCHEMBL3327391 0.79 PDE10A (0.51) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL969708 0.79 PDE2A (0.45) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL3325055 0.72 PDE10A (0.43) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL3322146 0.71 PSEN1 (0.48)
SCHEMBL969679 0.71 RXFP1 (0.41) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL7904639 0.70 PDE2A (0.63) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL12947957 0.70 PDE10A (0.47) PDE2APDE10APDE6DPDE6APDE6G

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-2010054260-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 US disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 US disclosed
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 PDE2A 1/4885PDE10A 13/4885PDE6D 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.