SCHEMBL16633562

SCHEMBL16633562

N#Cc1ccc(N2CCOC(CO)C2)c2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.49
TLR9 Q9NR96 6/20 0.46
TLR7 Q9NYK1 6/20 0.46
TRPV1 Q8NER1 2/20 0.39
ACVR1 Q04771 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SLC34A1 Q06495 2/20 0.37
CHEK1 O14757 1/20 0.37
RPS6KB1 P23443 1/20 0.37
KDR P35968 1/20 0.37
SYK P43405 1/20 0.37
KCNH2 Q12809 1/20 0.37
IRAK4 Q9NWZ3 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
SCHEMBL16633561 1.00 TLR8 (0.49) TLR8TLR9TLR7TRPV1ACVR1
SCHEMBL16632968 0.89 TLR8 (0.49) TLR8TLR9TLR7KDRSYK
SCHEMBL16643742 0.89 TLR8 (0.49) TLR8TLR9TLR7CHEK1RPS6KB1
SCHEMBL16634272 0.89 TLR8 (0.49) TLR8TLR9TLR7CHEK1RPS6KB1
SCHEMBL16633918 0.89 TLR8 (0.49) TLR8TLR9TLR7CHEK1RPS6KB1
SCHEMBL16633815 0.84 TLR8 (0.46) TLR8TLR9TLR7ACVR1
SCHEMBL16633689 0.84 TLR8 (0.52) TLR8TLR9TLR7
SCHEMBL16633861 0.84 TLR8 (0.52) TLR8TLR9TLR7
SCHEMBL16633921 0.83 TLR8 (0.44) TLR8TLR9TLR7CHEK1KDR
SCHEMBL16633923 0.83 TLR8 (0.44) TLR8TLR9TLR7CHEK1KDR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US disclosed
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-12-13 US disclosed
US-10087174-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-10-02 US disclosed
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-02-01 US disclosed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 US disclosed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 US disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 US 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 (5 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-10087174-B2 Selectively substituted quinoline compounds SSB, TLR7, TLR8 TLR8 3/4885TLR9 4/4885TLR7 2/4885
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TLR8 3/4885TLR9 4/4885TLR7 2/4885
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TLR8 3/4885TLR9 4/4885TLR7 2/4885
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.