SCHEMBL16633363

SCHEMBL16633363

C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CNc2ccccn2)O1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.46
TLR9 Q9NR96 12/20 0.43
TLR7 Q9NYK1 12/20 0.43
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AR P10275 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 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
SCHEMBL16633362 1.00 TLR8 (0.46) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16634185 0.90 TLR8 (0.44) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16634188 0.90 TLR8 (0.44) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16633743 0.90 TLR8 (0.46) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16633745 0.90 TLR8 (0.46) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16633693 0.90 TLR8 (0.48) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16633694 0.90 TLR8 (0.48) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16633447 0.90 TLR8 (0.44) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16633094 0.90 TLR8 (0.44) TLR8TLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL16633093 0.90 TLR8 (0.44) 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.