SCHEMBL10344974

SCHEMBL10344974

CCOC(=O)C1=Cc2cc(-c3cccnc3)ccc2N=C(N)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.61
TLR7 Q9NYK1 5/20 0.61
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
MMP14 P50281 1/20 0.48
MKNK1 Q9BUB5 6/20 0.47
MKNK2 Q9HBH9 6/20 0.47
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 1/20 0.40
SLC2A1 P11166 1/20 0.40
CDC7 O00311 1/20 0.39

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
SCHEMBL12619278 0.92 TLR8 (0.72) TLR8TLR7MMP2MMP13MMP14
SCHEMBL10345313 0.88 TLR8 (0.67) TLR8TLR7MAPTKDM4EMEN1
SCHEMBL10345314 0.87 TLR8 (0.57) TLR8TLR7MMP2MMP13MMP14
SCHEMBL15496644 0.86 TLR8 (0.64) TLR8TLR7
SCHEMBL10325490 0.85 TLR8 (0.59) TLR8TLR7
SCHEMBL10325903 0.84 TLR8 (0.58) TLR8TLR7
SCHEMBL10326042 0.84 TLR8 (0.61) TLR8TLR7MAPTKDM4EMEN1
SCHEMBL15496646 0.82 TLR8 (0.56) TLR8TLR7
SCHEMBL10326201 0.82 TLR8 (0.56) TLR8TLR7MAPTKDM4EMEN1
SCHEMBL10325435 0.82 TLR8 (0.59) TLR8TLR7

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 7 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
US-9718796-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2017-08-01 US 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
US-20140066432-A1 Substituted Benzoazepines As Toll-Like Receptor Modulators VENTIRX PHARMACEUTICALS, INC. 2014-03-06 US 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 4/4885MMP2 4322/4885

“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.