SCHEMBL3329200

SCHEMBL3329200

COc1cc(C(F)(F)F)cc(-n2cnc(C)c2)c1N

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 4/20 0.54
PSEN1 P49768 16/20 0.49
PSEN2 P49810 16/20 0.49
APH1B Q8WW43 16/20 0.49
NCSTN Q92542 16/20 0.49
APH1A Q96BI3 16/20 0.49
PSENEN Q9NZ42 16/20 0.49
KCNH2 Q12809 3/20 0.48
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2790568 0.81 NR2E1 (0.57) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL13361920 0.81 PSEN1 (0.49) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL3322146 0.79 PSEN1 (0.48) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL3326422 0.77 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8704179 0.73 L3MBTL1 (0.43)
SCHEMBL4107745 0.72 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL589390 0.71 NR2E1 (1.00) NR2E1
SCHEMBL16687251 0.71 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL511511 0.71 NR4A1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4091381 0.70 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A

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 NR2E1 3839/4885PSEN1 3784/4885PSEN2 4041/4885

“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.