SCHEMBL16633415

SCHEMBL16633415

Cc1cccnc1NC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.46
TLR9 Q9NR96 12/20 0.43
TLR7 Q9NYK1 12/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP30 Q70CQ3 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NSD2 O96028 1/20 0.34
HCRTR1 O43613 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
SCHEMBL16633414 1.00 TLR8 (0.46) TLR8TLR9TLR7ALDH1A1KDM4E
SCHEMBL16633135 0.91 TLR8 (0.45) TLR8TLR9TLR7ALDH1A1KDM4E
SCHEMBL16633136 0.91 TLR8 (0.45) TLR8TLR9TLR7ALDH1A1KDM4E
SCHEMBL16633693 0.91 TLR8 (0.48) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633694 0.91 TLR8 (0.48) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633505 0.89 TLR8 (0.46) TLR8TLR9TLR7ALDH1A1KDM4E
SCHEMBL16633507 0.89 TLR8 (0.46) TLR8TLR9TLR7ALDH1A1KDM4E
SCHEMBL16633912 0.89 TLR8 (0.45) TLR8TLR9TLR7ALDH1A1KMT2A
SCHEMBL16633914 0.89 TLR8 (0.45) TLR8TLR9TLR7ALDH1A1KMT2A
SCHEMBL16633743 0.89 TLR8 (0.46) TLR8TLR9TLR7ALDH1A1KDM4E

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.