SCHEMBL1237704

SCHEMBL1237704

NC1=Nc2cc(-c3cccnc3)ccc2C=C(C(=O)O)C1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.69
TLR7 Q9NYK1 5/20 0.69
KMO O15229 1/20 0.46
MKNK1 Q9BUB5 7/20 0.45
MKNK2 Q9HBH9 7/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44

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
SCHEMBL1238468 0.86 TLR8 (0.67) TLR8TLR7
SCHEMBL1235954 0.85 TLR8 (0.51) TLR8TLR7
SCHEMBL12619278 0.84 TLR8 (0.72) TLR8TLR7MKNK1MKNK2
SCHEMBL1801546 0.82 TLR8 (1.00) TLR8TLR7
SCHEMBL18772032 0.80 TLR8 (0.56) TLR8TLR7MKNK1MKNK2
SCHEMBL1237447 0.80 TLR8 (0.48) TLR8TLR7
SCHEMBL1238132 0.79 TLR8 (0.73) TLR8TLR7
SCHEMBL27078698 0.78 TLR8 (0.42) TLR8TLR7
SCHEMBL18771965 0.77 TLR8 (0.53) TLR8TLR7MKNK1MKNK2
SCHEMBL8195020 0.76 TLR8 (0.42) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3159337-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-04-26 EP disclosed
EP-2467380-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-11-30 EP disclosed
US-20160137608-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2016-05-19 US disclosed
US-9242964-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2016-01-26 US disclosed
US-20140142086-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA, INC. (US) 2014-05-22 US disclosed
US-8524702-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
EP-2467380-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
US-20110118235-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
WO-2011022509-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-02-24 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 (3 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-20160137608-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 TLR8 1/4885TLR7 3/4885KMO 164/4885
US-20110118235-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 TLR8 1/4885TLR7 3/4885KMO 164/4885
US-20140142086-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR7 TLR8 1/4885TLR7 3/4885KMO 164/4885

“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.