SCHEMBL16634161

SCHEMBL16634161

C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CN2CCN(C3CCNCC3)CC2)O1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 15/20 0.48
TLR7 Q9NYK1 15/20 0.48
TLR8 Q9NR97 14/20 0.48
HTR1A P08908 2/20 0.37
KDM4E B2RXH2 1/20 0.34
RAD52 P43351 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACVR1 Q04771 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
SCHEMBL16634160 1.00 TLR9 (0.48) TLR9TLR7TLR8HTR1AKDM4E
SCHEMBL16633393 0.94 TLR9 (0.48) TLR9TLR7TLR8HTR1AKDM4E
SCHEMBL16633390 0.94 TLR9 (0.48) TLR9TLR7TLR8HTR1AKDM4E
SCHEMBL16633387 0.91 TLR9 (0.49) TLR9TLR7TLR8HTR1AKDM4E
SCHEMBL16633388 0.91 TLR9 (0.49) TLR9TLR7TLR8HTR1AKDM4E
SCHEMBL16633840 0.91 TLR9 (0.50) TLR9TLR7TLR8ACVR1
SCHEMBL16633838 0.91 TLR9 (0.50) TLR9TLR7TLR8ACVR1
SCHEMBL25699825 0.91 TLR9 (0.50) TLR9TLR7TLR8ACVR1
SCHEMBL16633703 0.90 TLR9 (0.47) TLR9TLR7TLR8ACVR1
SCHEMBL16633088 0.90 TLR9 (0.49) TLR9TLR7TLR8ACVR1

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 TLR9 4/4885TLR7 2/4885TLR8 3/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TLR9 4/4885TLR7 2/4885TLR8 3/4885

“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.