SCHEMBL16633694

SCHEMBL16633694

C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CNc2ncccn2)O1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.48
TLR9 Q9NR96 15/20 0.44
TLR7 Q9NYK1 15/20 0.44
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NSD2 O96028 1/20 0.33
KDR P35968 1/20 0.33
SYK P43405 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL16633693 1.00 TLR8 (0.48) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633610 0.93 TLR8 (0.46) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633613 0.93 TLR8 (0.46) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16634143 0.92 TLR8 (0.43) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16634145 0.92 TLR8 (0.43) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633414 0.91 TLR8 (0.46) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633415 0.91 TLR8 (0.46) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633743 0.91 TLR8 (0.46) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633745 0.91 TLR8 (0.46) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL24404848 0.90 TLR8 (0.49) 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.