SCHEMBL17840411

SCHEMBL17840411

N#Cc1ccc(N2CCC[C@@H](N)C2)c2cccnc12

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.65
TLR9 Q9NR96 5/20 0.49
TLR7 Q9NYK1 5/20 0.49
PBK Q96KB5 2/20 0.48
AR P10275 1/20 0.46
DPP4 P27487 11/20 0.45
CYP3A4 P08684 3/20 0.43

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
SCHEMBL17840412 1.00 TLR8 (0.65) TLR8TLR9TLR7PBKAR
SCHEMBL19957396 0.87 TLR8 (0.53) TLR8TLR9TLR7AR
SCHEMBL4876295 0.85 AR (0.63) TLR8TLR9TLR7AR
SCHEMBL30003477 0.83 PBK (0.50) TLR8PBK
SCHEMBL21795290 0.82 TLR8 (0.54) TLR8TLR9TLR7AR
SCHEMBL21795382 0.82 TLR8 (0.54) TLR8TLR9TLR7AR
SCHEMBL16661650 0.81 TLR8 (0.72) TLR8TLR9TLR7
SCHEMBL16653616 0.81 TLR8 (0.72) TLR8TLR9TLR7
SCHEMBL19000101 0.81 TLR8 (0.78) TLR8TLR9TLR7ARDPP4
SCHEMBL26351021 0.81 TLR8 (0.62) TLR8TLR9TLR7AR

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
EP-3057948-B1 SELECTIVELY SUBSTITUTED QUINOLINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2018-03-14 EP claimed
US-9663486-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-05-30 US claimed
US-20160176841-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-06-23 US claimed
US-20160176841-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-06-23 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 (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-20160176841-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TLR8 3/4885TLR9 4/4885TLR7 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.