SCHEMBL1095552

SCHEMBL1095552

CNC(=O)c1ccc(-c2ccc3c(c2)N=C(N)CC(C(=O)O)=C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 19/20 0.49
TLR7 Q9NYK1 6/20 0.47
CRBN Q96SW2 1/20 0.42

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
SCHEMBL1095204 0.86 TLR8 (0.49) TLR8TLR7
SCHEMBL233868 0.85 TLR8 (0.64) TLR8TLR7
SCHEMBL1237644 0.84 TLR8 (0.54) TLR8TLR7
SCHEMBL233869 0.84 TLR8 (0.40) TLR8TLR7CRBN
SCHEMBL1235954 0.82 TLR8 (0.51) TLR8TLR7
SCHEMBL1238259 0.81 TLR8 (0.59) TLR8TLR7
SCHEMBL1094511 0.80 TLR8 (0.71) TLR8TLR7
SCHEMBL1238138 0.79 TLR8 (0.69) TLR8TLR7
SCHEMBL1238463 0.79 TLR8 (0.59) TLR8TLR7
SCHEMBL18041439 0.78 TLR8 (0.50) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160331758-A1 TOLL-LIKE RECEPTOR AGONIST FORMULATIONS AND THEIR USE VENTIRX PHARMACEUTICALS, INC. 2016-11-17 US claimed
US-20130018042-A1 Toll-Like Receptor Agonist Formulations and Their Use VENTIRX PHARMACEUTICALS, INC. 2013-01-17 US claimed
US-8304407-B2 8-substituted benzoazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2012-11-06 US claimed
EP-1940797-B1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC (US) 2012-08-01 EP claimed
US-20120165317-A1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC. (US) 2012-06-28 US claimed
US-8153622-B2 modulating a patient's immune system; treating autoimmunity, inflammation allergy, asthma, transplant rejection, graft versus host disease, infection, sepsis, cancer and immunodeficiency; (1E,4E)-ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate; antiinflammatory, anticarcinogenic agents ARRAY BIOPHARMA INC. (US) 2012-04-10 US claimed
JP-2011529916-A 2011-12-15 JP claimed
EP-2322510-A2 8-substituted benzoazepines as toll-like receptor modulators Array Biopharma, Inc. (US) 2011-05-18 EP claimed
EP-2313111-A1 TOLL-LIKE RECEPTOR AGONIST FORMULATIONS AND THEIR USE Ventirx Pharmaceuticals, Inc. (US) 2011-04-27 EP claimed
WO-2010014913-A1 TOLL-LIKE RECEPTOR AGONIST FORMULATIONS AND THEIR USE VENTIRX PHARMACEUTICALS, INC. (US) 2010-02-04 WO claimed
US-20100029585-A1 TOLL-LIKE RECEPTOR AGONIST FORMULATIONS AND THEIR USE VENTIRX PHARMACEUTICALS, INC. 2010-02-04 US claimed
US-20080234251-A1 8-Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (US) 2008-09-25 US claimed
EP-1940797-A2 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Array Biopharma, Inc. (US) 2008-07-09 EP claimed
WO-2007024612-A2 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC. (US) 2007-03-01 WO claimed
US-20160331758-A1 TOLL-LIKE RECEPTOR AGONIST FORMULATIONS AND THEIR USE VENTIRX PHARMACEUTICALS, INC. 2016-11-17 US disclosed
EP-3081558-A1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Array Biopharma, Inc. (US) 2016-10-19 EP disclosed
US-9216192-B2 Toll-like receptor agonist formulations and their use VENTIRX PHARMACEUTICALS, INC. (US) 2015-12-22 US disclosed
WO-2010014913-A1 TOLL-LIKE RECEPTOR AGONIST FORMULATIONS AND THEIR USE VENTIRX PHARMACEUTICALS, INC. (US) 2010-02-04 WO disclosed
US-20100029585-A1 TOLL-LIKE RECEPTOR AGONIST FORMULATIONS AND THEIR USE VENTIRX PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20080234251-A1 8-Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (US) 2008-09-25 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 (5 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-20130018042-A1 Toll-Like Receptor Agonist Formulations and Their Use TLR8, TLR7, TLR1 TLR8 1/4885TLR7 2/4885CRBN 2852/4885
US-20120165317-A1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR7, TLR9 TLR8 1/4885TLR7 2/4885CRBN 3322/4885
US-20080234251-A1 8-Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR7, TLR9 TLR8 1/4885TLR7 2/4885CRBN 3322/4885
US-20160331758-A1 TOLL-LIKE RECEPTOR AGONIST FORMULATIONS AND THEIR USE TLR8, TLR7, TLR1 TLR8 1/4885TLR7 2/4885CRBN 2852/4885
US-20100029585-A1 TOLL-LIKE RECEPTOR AGONIST FORMULATIONS AND THEIR USE TLR8, TLR7, TLR1 TLR8 1/4885TLR7 2/4885CRBN 2852/4885

“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.