SCHEMBL10345315

SCHEMBL10345315

CCOC(=O)C1=Cc2cc(C3=CCNCC3)ccc2N=C(N)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 10/20 0.52
▸ TLR7 Q9NYK1 4/20 0.52
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ QDPR P09417 3/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35

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
SCHEMBL10345316 0.81 TLR8 (0.48) TLR8TLR7QDPR
SCHEMBL15496639 0.80 TLR8 (0.47) TLR8TLR7QDPR
SCHEMBL10325490 0.80 TLR8 (0.59) TLR8TLR7
SCHEMBL10325903 0.79 TLR8 (0.58) TLR8TLR7
SCHEMBL10345313 0.79 TLR8 (0.67) TLR8TLR7
SCHEMBL10345314 0.79 TLR8 (0.57) TLR8TLR7
SCHEMBL10345341 0.78 TLR8 (0.45) TLR8TLR7CCNT1CDK9QDPR
SCHEMBL15496646 0.78 TLR8 (0.56) TLR8TLR7
SCHEMBL10326201 0.78 TLR8 (0.56) TLR8TLR7
SCHEMBL15496644 0.78 TLR8 (0.64) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4/4885CCNT1 4653/4885

“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.

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