SCHEMBL3324518

SCHEMBL3324518

COc1cncc(-c2nc(C)cn2-c2cc(OC(F)F)cc(OC)c2[N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 4/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE2A O00408 2/20 0.31
PDE10A Q9Y233 2/20 0.31
PDE6D O43924 1/20 0.31
PDE6A P16499 1/20 0.31
PDE6G P18545 1/20 0.31
PDE6B P35913 1/20 0.31
PDE6C P51160 1/20 0.31
PDE6H Q13956 1/20 0.31
PIK3CG P48736 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL7910483 0.85 PTGS2 (0.39) PTGS2CYP11B1CYP11B2MAPTSMN1; SMN2
SCHEMBL3327099 0.84 PTGS2 (0.37) PTGS2CYP11B1CYP11B2PDE2APDE10A
SCHEMBL3326254 0.81 CRHR1 (0.32) MAPTSMN1; SMN2PDE2APDE10APDE6D
SCHEMBL969708 0.73 PDE2A (0.45) PTGS2CYP11B1CYP11B2MAPTSMN1; SMN2
SCHEMBL3330421 0.73 PSEN1 (0.37)
SCHEMBL970413 0.72 CRHR1 (0.36) MAPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL7914351 0.67 PTGS2 (0.37) PTGS2CYP11B1CYP11B2PDE2APDE10A
SCHEMBL972517 0.67 PDE10A (0.46) MAPTSMN1; SMN2PDE2APDE10APDE6D
SCHEMBL968700 0.65 KMT2A (0.33) MAPTSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL3327391 0.65 PDE10A (0.51) CYP11B1CYP11B2MAPTPDE2APDE10A

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 325/4885CYP11B1 536/4885CYP11B2 338/4885

“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.