SCHEMBL16633152

SCHEMBL16633152

C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CCOCC2)O1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.50
TLR9 Q9NR96 12/20 0.50
TLR7 Q9NYK1 12/20 0.50
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNMA1 Q12791 1/20 0.36
METAP2 P50579 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
TBK1 Q9UHD2 1/20 0.35
PIK3R2 O00459 1/20 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
SCHEMBL16633154 1.00 TLR8 (0.50) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633778 0.93 TLR9 (0.51) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633779 0.93 TLR9 (0.51) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633863 0.92 TLR9 (0.48) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633866 0.92 TLR9 (0.48) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633492 0.92 TLR9 (0.49) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633494 0.92 TLR9 (0.49) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633842 0.92 TLR8 (0.50) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633839 0.92 TLR8 (0.50) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633282 0.92 TLR8 (0.51) TLR8TLR9TLR7ALDH1A1GAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP claimed
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US claimed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 US claimed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 US claimed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 US claimed
EP-3995495-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2022-05-11 EP disclosed
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP 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-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TLR8 3/4885TLR9 4/4885TLR7 2/4885
US-20150105370-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.