SCHEMBL16634341

SCHEMBL16634341

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.58
TLR9 Q9NR96 13/20 0.51
TLR7 Q9NYK1 13/20 0.51
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 1/20 0.43
AR P10275 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL16633372 1.00 TLR8 (0.58) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL24404813 1.00 TLR8 (0.58) TLR8TLR9TLR7ALDH1A1GAA
Hydrochloric Acid SCHEMBL16632234 0.99 TLR8 (0.57) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633115 0.92 TLR8 (0.52) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16634023 0.92 TLR8 (0.52) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL21590366 0.92 TLR8 (0.53) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633643 0.90 TLR8 (0.52) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL25701692 0.90 TLR8 (0.52) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL24404814 0.90 TLR8 (0.52) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL19829021 0.90 TLR8 (0.52) 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.