SCHEMBL10345126

SCHEMBL10345126

CN(C)C(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.46
TLR7 Q9NYK1 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP17A1 P05093 3/20 0.35
HPGD P15428 2/20 0.34
MAPK1 P28482 1/20 0.34
STK25 O00506 1/20 0.34
CNR2 P34972 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
NAMPT P43490 1/20 0.33
CRBN Q96SW2 1/20 0.33
HDAC4 P56524 1/20 0.33
BCL2 P10415 1/20 0.32

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
SCHEMBL10344980 0.84 TLR8 (0.47) TLR8TLR7ABL1RIN1MEN1
SCHEMBL1237420 0.84 TLR8 (0.50) TLR8TLR7ABL1RIN1MEN1
SCHEMBL15499082 0.82 TLR8 (0.44) TLR8TLR7ABL1RIN1MEN1
SCHEMBL10072465 0.82 TLR8 (0.53) TLR8TLR7ABL1RIN1CYP17A1
SCHEMBL10325458 0.81 TLR8 (0.66) TLR8TLR7ABL1HPGDMAPK1
SCHEMBL10343180 0.76 TLR8 (0.49) TLR8TLR7HPGDMAPK1HRH3
SCHEMBL27950484 0.76 TLR8 (0.50) TLR8TLR7ABL1MEN1KMT2A
SCHEMBL10325394 0.76 TLR8 (0.45) TLR8TLR7ABL1RIN1MEN1
SCHEMBL10343412 0.75 TLR8 (0.49) TLR8TLR7HPGDMAPK1HRH3
SCHEMBL24006376 0.74 TLR8 (0.45) TLR8TLR7MEN1KMT2AHPGD

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 4 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
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
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 4/4885ABL1 1617/4885

“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.