SCHEMBL13361925

SCHEMBL13361925

COc1cncc(C2=NC(C)CN2c2cc(OC(F)F)cc(OC)c2N)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.35
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CYP11B1 P15538 5/20 0.32
CYP11B2 P19099 5/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
KCNH2 Q12809 1/20 0.30
CYP1A2 P05177 1/20 0.30
PTGS2 P35354 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
SCHEMBL31610737 0.63 CYP1A1 (0.45) CHRNB2CHRNA4CYP11B1CYP11B2CYP1A2
SCHEMBL13361961 0.63 CYP17A1 (0.34) CYP11B1CYP11B2CYP1A2
SCHEMBL3326422 0.62 PSEN1 (0.38) KCNH2
SCHEMBL3324518 0.61 PTGS2 (0.38) CYP11B1CYP11B2CYP1A2PTGS2
SCHEMBL27314054 0.60 MAP3K12 (0.42)
SCHEMBL23641248 0.60 PIK3CA (0.38)
SCHEMBL30031982 0.60 PIK3CA (0.38)
SCHEMBL7914351 0.58 PTGS2 (0.37) CYP11B1CYP11B2KCNH2CYP1A2PTGS2
SCHEMBL5702666 0.58 CYP1A1 (0.74) CYP11B1CYP11B2CYP1A2
SCHEMBL21044243 0.56 PRMT5 (0.49) BACE1CYP11B1CYP11B2KCNH2CYP1A2

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 1 patent. 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

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 BACE1 1251/4885CHRNB2 1425/4885CHRNA4 637/4885

“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.