SCHEMBL16633920

SCHEMBL16633920

C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CN2CCN(C)CC2)O1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.52
TLR9 Q9NR96 12/20 0.52
TLR7 Q9NYK1 12/20 0.52
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
METAP2 P50579 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL16633919 1.00 TLR8 (0.52) TLR8TLR9TLR7HRH1HRH3
SCHEMBL16633586 0.96 TLR8 (0.49) TLR8TLR9TLR7HRH1HRH3
SCHEMBL25417310 0.93 TLR9 (0.48) TLR8TLR9TLR7HRH1HRH3
SCHEMBL24120227 0.93 TLR9 (0.48) TLR8TLR9TLR7HRH1HRH3
SCHEMBL25700218 0.93 TLR9 (0.48) TLR8TLR9TLR7HRH1HRH3
SCHEMBL16633775 0.93 TLR8 (0.49) TLR8TLR9TLR7HRH1HRH3
SCHEMBL16633506 0.93 TLR8 (0.49) TLR8TLR9TLR7HRH1HRH3
SCHEMBL16633504 0.93 TLR8 (0.49) TLR8TLR9TLR7HRH1HRH3
SCHEMBL16633723 0.93 TLR9 (0.50) TLR8TLR9TLR7HRH1HRH3
SCHEMBL16633719 0.93 TLR9 (0.50) TLR8TLR9TLR7HRH1HRH3

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.