SCHEMBL3327099

SCHEMBL3327099

COc1cncc(-c2nc(C)cn2-c2cc(OC(F)F)cc(OC)c2N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
CYP11B1 P15538 6/20 0.35
CYP11B2 P19099 6/20 0.35
PDE2A O00408 4/20 0.35
PDE10A Q9Y233 4/20 0.35
PDE6D O43924 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE6B P35913 1/20 0.35
PDE6C P51160 1/20 0.35
PDE6H Q13956 1/20 0.35
BACE1 P56817 1/20 0.34
ALOX5AP P20292 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4B Q07343 1/20 0.32
CYP17A1 P05093 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PIK3CG P48736 2/20 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
SCHEMBL3324518 0.84 PTGS2 (0.38) PTGS2CYP11B1CYP11B2PDE2APDE10A
SCHEMBL7914351 0.83 PTGS2 (0.37) PTGS2CYP11B1CYP11B2PDE2APDE10A
SCHEMBL13361925 0.74 BACE1 (0.35) PTGS2CYP11B1CYP11B2BACE1CYP1A2
SCHEMBL3326050 0.70 PDE2A (0.49) PTGS2CYP11B1CYP11B2PDE2APDE10A
SCHEMBL3326422 0.70 PSEN1 (0.38)
SCHEMBL3325254 0.69 PDE2A (0.68) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL7910483 0.67 PTGS2 (0.39) PTGS2CYP11B1CYP11B2PDE2APDE10A
SCHEMBL31610737 0.64 CYP1A1 (0.45) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL3326254 0.62 CRHR1 (0.32) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL3324015 0.62 PDE10A (0.56) CYP11B1CYP11B2PDE2APDE10APDE6D

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 2 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

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.