SCHEMBL1095253

SCHEMBL1095253

CCN(CC)C(=O)C1=Cc2ccc(C(F)(F)C(F)(F)F)cc2N=C(N)C1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 20/20 0.52
TLR7 Q9NYK1 8/20 0.52

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
SCHEMBL1095254 0.92 TLR8 (0.63) TLR8TLR7
SCHEMBL7505418 0.91 TLR8 (0.60) TLR8TLR7
SCHEMBL1094090 0.87 TLR8 (0.52) TLR8TLR7
SCHEMBL1104739 0.85 TLR8 (0.56) TLR8TLR7
SCHEMBL1095621 0.83 TLR8 (0.39) TLR8TLR7
SCHEMBL1093894 0.83 TLR8 (0.45) TLR8TLR7
SCHEMBL7505947 0.83 TLR8 (0.71) TLR8TLR7
SCHEMBL10044372 0.82 TLR8 (0.60) TLR8TLR7
SCHEMBL1095467 0.81 TLR8 (0.46) TLR8TLR7
SCHEMBL7515942 0.80 TLR8 (0.55) 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
US-20080234251-A1 8-Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (US) 2008-09-25 US claimed
EP-3081558-A1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Array Biopharma, Inc. (US) 2016-10-19 EP disclosed
US-8304407-B2 8-substituted benzoazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2012-11-06 US disclosed
US-20120165317-A1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC. (US) 2012-06-28 US disclosed
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 disclosed
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 disclosed
US-20080234251-A1 8-Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (US) 2008-09-25 US disclosed
US-20080234251-A1 8-Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (US) 2008-09-25 US disclosed
WO-2007024612-A2 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC. (US) 2007-03-01 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 (2 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-20120165317-A1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR7, TLR9 TLR8 1/4885TLR7 2/4885
US-20080234251-A1 8-Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR7, TLR9 TLR8 1/4885TLR7 2/4885

“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.