SCHEMBL3324746

SCHEMBL3324746

COc1cc(C(F)(F)F)cc(-n2cc(C)nc2Br)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.35
PTGS1 P23219 3/20 0.35
CRHR1 P34998 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
S1PR4 O95977 1/20 0.33
NR1I2 O75469 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCG2 Q9UNQ0 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL968700 0.85 KMT2A (0.33) CRHR1GAAALDH1A1S1PR4MEN1
SCHEMBL3321918 0.85 GAA (0.36) PTGS2PTGS1GAAALDH1A1KDM4E
SCHEMBL970413 0.84 CRHR1 (0.36) CRHR1ALDH1A1S1PR4MEN1KMT2A
SCHEMBL3330603 0.83 ALOX5 (0.33) PTGS2GAAALDH1A1KDM4EMEN1
SCHEMBL3326254 0.81 CRHR1 (0.32) CRHR1MEN1KMT2A
SCHEMBL3326303 0.79 PDE2A (0.48) PTGS2
SCHEMBL970040 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3322146 0.77 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13361960 0.77 NPC1 (0.36) ALDH1A1S1PR4MEN1KMT2A
SCHEMBL3325859 0.76 AMY1A (0.32) CRHR1ALDH1A1KDM4EMEN1KMT2A

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
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 PTGS2 325/4885PTGS1 320/4885CRHR1 1597/4885

“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.