SCHEMBL16633861

SCHEMBL16633861

C[C@@H]1CN(c2ccc(C#N)c3ncccc23)CCO1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.52
TLR9 Q9NR96 7/20 0.50
TLR7 Q9NYK1 7/20 0.50
LRRK2 Q5S007 3/20 0.44
ATR Q13535 5/20 0.41
ATRIP Q8WXE1 3/20 0.41
STK3 Q13188 1/20 0.39
STK26 Q9P289 1/20 0.39
AR P10275 1/20 0.39
KCNMA1 Q12791 1/20 0.37
SLC40A1 Q9NP59 1/20 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
SCHEMBL16633689 1.00 TLR8 (0.52) TLR8TLR9TLR7LRRK2ATR
SCHEMBL16633372 0.86 TLR8 (0.58) TLR8TLR9TLR7AR
SCHEMBL16634341 0.86 TLR8 (0.58) TLR8TLR9TLR7AR
SCHEMBL24404813 0.86 TLR8 (0.58) TLR8TLR9TLR7AR
SCHEMBL16632968 0.86 TLR8 (0.49) TLR8TLR9TLR7LRRK2AR
Hydrochloric Acid SCHEMBL16632234 0.85 TLR8 (0.57) TLR8TLR9TLR7AR
SCHEMBL16634272 0.84 TLR8 (0.49) TLR8TLR9TLR7LRRK2AR
SCHEMBL16633562 0.84 TLR8 (0.49) TLR8TLR9TLR7
SCHEMBL16633918 0.84 TLR8 (0.49) TLR8TLR9TLR7LRRK2AR
SCHEMBL16633561 0.84 TLR8 (0.49) TLR8TLR9TLR7

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 5 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-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 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.