SCHEMBL16633555

SCHEMBL16633555

Cc1ccc(OC[C@H]2CN(c3ccc(C#N)c4ncccc34)C[C@@H](C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.46
TLR9 Q9NR96 12/20 0.44
TLR7 Q9NYK1 12/20 0.44
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
GRM2 Q14416 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ELANE P08246 1/20 0.34
NSD2 O96028 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
SCHEMBL16633846 0.93 TLR8 (0.48) TLR8TLR9TLR7HRH1HRH3
SCHEMBL16633609 0.90 TLR8 (0.44) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16634325 0.89 TLR8 (0.49) TLR8TLR9TLR7HRH1HRH3
SCHEMBL16634276 0.88 TLR8 (0.47) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16633705 0.88 TLR8 (0.46) TLR8TLR9TLR7HRH1HRH3
SCHEMBL16633662 0.88 TLR8 (0.50) TLR8TLR9TLR7HRH1HRH3
SCHEMBL16632260 0.87 TLR8 (0.46) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16633430 0.87 TLR8 (0.43) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16634306 0.86 TLR8 (0.47) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16633536 0.86 TLR8 (0.46) TLR8TLR9TLR7SMN1; SMN2ALDH1A1

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.