SCHEMBL5178759

SCHEMBL5178759

Cn1c(Cc2ccc(Br)c(Oc3cc(C#N)cc(C(F)F)c3)c2F)nn(COC(=O)CCC(=O)OCn2nc(Cc3ccc(Br)c(Oc4cc(C#N)cc(C(F)F)c4)c3F)n(C)c2=O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPAS1 Q99814 1/20 0.32

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
SCHEMBL1653385 0.97 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19EPAS1
SCHEMBL5179004 0.92 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19EPAS1
SCHEMBL5178143 0.91 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19EPAS1
SCHEMBL1654871 0.91 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19EPAS1
SCHEMBL2345030 0.89 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19EPAS1
SCHEMBL1653573 0.89 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19EPAS1
SCHEMBL1652202 0.88 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19EPAS1
SCHEMBL11904686 0.88 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19EPAS1
SCHEMBL11904683 0.86 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19EPAS1
SCHEMBL5180307 0.83 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773790-B1 BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2012-08-15 EP claimed
EP-1773790-A1 BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-04-18 EP claimed
US-20060025462-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-02-02 US claimed
WO-2006010545-A1 BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-02 WO claimed
EP-1773790-B1 BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2012-08-15 EP disclosed
EP-1773790-A1 BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-04-18 EP disclosed
US-20060025462-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-02-02 US disclosed
WO-2006010545-A1 BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-02 WO 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-20060025462-A1 Heterocyclic antiviral compounds MAVS, IRF3, ZC3HAV1 CYP3A4 893/4885CYP2C9 1216/4885CYP2C19 750/4885

“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.