SCHEMBL3326254

SCHEMBL3326254

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

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.32
PDE2A O00408 2/20 0.32
PDE10A Q9Y233 2/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
PDE6D O43924 1/20 0.30
PDE6A P16499 1/20 0.30
PDE6G P18545 1/20 0.30
PDE6B P35913 1/20 0.30
PDE6C P51160 1/20 0.30
PDE6H Q13956 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
SCHEMBL970413 0.89 CRHR1 (0.36) CRHR1MAPTMEN1NPC1RAB9A
SCHEMBL968700 0.83 KMT2A (0.33) CRHR1MAPTMEN1RAB9AKMT2A
SCHEMBL3324518 0.81 PTGS2 (0.38) PDE2APDE10AMAPTMEN1NPC1
SCHEMBL13361960 0.81 NPC1 (0.36) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL3330603 0.81 ALOX5 (0.33) MAPTMEN1KMT2ALMNA
SCHEMBL3324746 0.81 PTGS2 (0.35) CRHR1MEN1KMT2A
SCHEMBL3325965 0.79 KMT2A (0.38) PDE2APDE10AMAPTMEN1NPC1
SCHEMBL3325859 0.79 AMY1A (0.32) CRHR1MAPTMEN1NPC1RAB9A
SCHEMBL3330421 0.78 PSEN1 (0.37)
SCHEMBL970040 0.77 ALDH1A1 (0.38) MAPTMEN1NPC1RAB9AKMT2A

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 CRHR1 1597/4885PDE2A 1/4885PDE10A 13/4885

“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.