SCHEMBL16633398

SCHEMBL16633398

CC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](COCc2ccccc2)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.48
TLR9 Q9NR96 8/20 0.40
TLR7 Q9NYK1 8/20 0.40
KDM4E B2RXH2 8/20 0.39
L3MBTL1 Q9Y468 8/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MITF O75030 3/20 0.37
ALOX15 P16050 2/20 0.37
ALOX12 P18054 2/20 0.37

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
SCHEMBL16633348 0.91 TLR8 (0.48) TLR8TLR9TLR7KDM4EL3MBTL1
SCHEMBL24404844 0.91 TLR8 (0.48) TLR8TLR9TLR7KDM4EL3MBTL1
SCHEMBL19828892 0.91 TLR8 (0.48) TLR8TLR9TLR7KDM4EL3MBTL1
SCHEMBL16633375 0.88 TLR8 (0.55) TLR8TLR9TLR7NSD2
SCHEMBL16633910 0.86 TLR8 (0.51) TLR8TLR9TLR7NSD2
SCHEMBL25701692 0.83 TLR8 (0.52) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16633888 0.81 TLR8 (0.48) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL18035023 0.81 TLR8 (0.45) TLR8TLR9TLR7KDM4ENSD2
SCHEMBL16633846 0.79 TLR8 (0.48) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16664737 0.78 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.