SCHEMBL3325744

SCHEMBL3325744

Cc1cn(-c2cc(OC(F)F)cc(F)c2[N+](=O)[O-])cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PSEN1 P49768 7/20 0.32
PSEN2 P49810 7/20 0.32
APH1B Q8WW43 7/20 0.32
NCSTN Q92542 7/20 0.32
APH1A Q96BI3 7/20 0.32
PSENEN Q9NZ42 7/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL3330421 0.86 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7917720 0.81 TLR2 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3323753 0.77 NR2E1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3322567 0.75 MEN1 (0.35) MEN1MAPTKMT2ANPC1RAB9A
SCHEMBL3325861 0.72 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3326422 0.70 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13361924 0.70 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23292585 0.69 TLR2 (0.49) KMT2ATLR2TLR1LMNA
SCHEMBL1617550 0.69 ALDH1A1 (0.47) MEN1MAPTKMT2APSEN1PSEN2
SCHEMBL968757 0.68 TLR2 (0.48) MEN1KMT2APSEN1PSEN2APH1B

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 MEN1 3332/4885MAPT 3773/4885KMT2A 1501/4885

“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.