SCHEMBL3322146

SCHEMBL3322146

COc1cc(C(F)(F)F)cc(-n2cnc(C)c2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.48
PSEN2 P49810 14/20 0.48
APH1B Q8WW43 14/20 0.48
NCSTN Q92542 14/20 0.48
APH1A Q96BI3 14/20 0.48
PSENEN Q9NZ42 14/20 0.48
KCNH2 Q12809 3/20 0.45
NR2E1 Q9Y466 4/20 0.43
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39

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
SCHEMBL3323753 0.84 NR2E1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3325861 0.84 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2788631 0.83 NR2E1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7906245 0.82 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3330421 0.80 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3329200 0.79 NR2E1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13361920 0.79 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3324746 0.77 PTGS2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29679548 0.73 GAA (0.60) NR2E1TLR2TLR1
SCHEMBL29864449 0.72 NR2E1 (0.61) NR2E1

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
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

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 PSEN1 3784/4885PSEN2 4041/4885APH1B 3658/4885

“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.