SCHEMBL3325025

SCHEMBL3325025

COc1cc(F)c(N)c(-n2cc(C)nc2Br)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
GRM8 O00222 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRM7 Q14831 1/20 0.33
CDK4 P11802 1/20 0.31
CDK2 P24941 1/20 0.31
PDE2A O00408 5/20 0.31
PDE10A Q9Y233 5/20 0.31
CHRM4 P08173 2/20 0.30
TRAP1 Q12931 2/20 0.30
HSP90B1 P14625 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
SCHEMBL13361955 0.81 GRM8 (0.31) GRM8CYP1A2GRM7
SCHEMBL3325859 0.79 AMY1A (0.32) GRM8CYP1A2GRM7
SCHEMBL970413 0.69 CRHR1 (0.36)
SCHEMBL30954965 0.69
SCHEMBL158153 0.68 TAAR1 (0.56) TAAR1CYP1A2
SCHEMBL18713980 0.65 TAAR1 (0.48) TAAR1CYP1A2
SCHEMBL21000886 0.63 TAAR1 (0.50) TAAR1CYP1A2
SCHEMBL30184066 0.63 TAAR1 (0.50) TAAR1CYP1A2
SCHEMBL30954923 0.62 PLAU (0.34)
SCHEMBL13862076 0.62 TAAR1 (0.48) TAAR1CYP1A2

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 TAAR1 1107/4885GRM8 3122/4885CYP1A2 29/4885

“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.