SCHEMBL16633934

SCHEMBL16633934

C[C@@H]1CCN(C[C@H]2CN(c3ccc(C#N)c4ncccc34)C[C@@H](C)O2)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 16/20 0.49
TLR7 Q9NYK1 16/20 0.49
TLR8 Q9NR97 14/20 0.49
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSB P07858 1/20 0.35
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL16633935 1.00 TLR9 (0.49) TLR9TLR7TLR8ALDH1A1GAA
SCHEMBL16633571 1.00 TLR9 (0.49) TLR9TLR7TLR8ALDH1A1GAA
SCHEMBL16633573 1.00 TLR9 (0.49) TLR9TLR7TLR8ALDH1A1GAA
SCHEMBL16633575 1.00 TLR9 (0.49) TLR9TLR7TLR8ALDH1A1GAA
SCHEMBL16633671 0.95 TLR9 (0.50) TLR9TLR7TLR8ALDH1A1GAA
SCHEMBL16633673 0.95 TLR9 (0.50) TLR9TLR7TLR8ALDH1A1GAA
SCHEMBL16633037 0.92 TLR9 (0.54) TLR9TLR7TLR8ALDH1A1GAA
SCHEMBL16633644 0.92 TLR9 (0.54) TLR9TLR7TLR8ALDH1A1GAA
SCHEMBL16633039 0.92 TLR9 (0.54) TLR9TLR7TLR8ALDH1A1GAA
SCHEMBL16633646 0.92 TLR9 (0.54) TLR9TLR7TLR8ALDH1A1GAA

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 TLR9 4/4885TLR7 2/4885TLR8 3/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TLR9 4/4885TLR7 2/4885TLR8 3/4885

“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.