SCHEMBL10325225

SCHEMBL10325225

CCOC(=O)C1=Cc2cc(Br)ccc2N=C(N)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.53
TLR7 Q9NYK1 7/20 0.53
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
HTT P42858 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL3032882 0.90 TLR8 (0.61) TLR8TLR7
SCHEMBL7509353 0.86 TLR8 (0.54) TLR8TLR7SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8188956 0.84 TLR8 (0.53) TLR8TLR7SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10325490 0.83 TLR8 (0.59) TLR8TLR7
SCHEMBL7503802 0.83 TLR8 (0.52) TLR8TLR7ALDH1A1MAPT
SCHEMBL10345313 0.82 TLR8 (0.67) TLR8TLR7SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10325903 0.82 TLR8 (0.58) TLR8TLR7CYP1A2
SCHEMBL7515216 0.82 TLR8 (0.70) TLR8TLR7SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7505631 0.82 TLR8 (0.63) TLR8TLR7ALDH1A1
SCHEMBL10345314 0.81 TLR8 (0.57) TLR8TLR7ALDH1A1

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-3208263-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2017-08-23 EP disclosed
US-9718796-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
CN-103562186-B Substituted benzazepines as modulators of TOLL-like receptors 帆德制药股份有限公司 2017-02-15 CN disclosed
EP-2663550-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
EP-2663550-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-20140066432-A1 Substituted Benzoazepines As Toll-Like Receptor Modulators VENTIRX PHARMACEUTICALS, INC. 2014-03-06 US disclosed
EP-2663550-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2013-11-20 EP disclosed
WO-2012097173-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2012-07-19 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-20140066432-A1 Substituted Benzoazepines As Toll-Like Receptor Modulators TLR8, TLR9, TLR1 TLR8 1/4885TLR7 4/4885SMN1; SMN2 3353/4885

“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.