SCHEMBL16633749

SCHEMBL16633749

C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CNc2cccc(-c3ccccc3)n2)O1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.45
TLR8 Q9NR97 10/20 0.41
TLR9 Q9NR96 11/20 0.39
TLR7 Q9NYK1 11/20 0.39
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDR P35968 1/20 0.34
SYK P43405 1/20 0.34
KCNH2 Q12809 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
SCHEMBL16633747 1.00 USP30 (0.45) USP30TLR8TLR9TLR7TSHR
SCHEMBL16633852 0.89 TLR8 (0.43) TLR8TLR9TLR7TSHRTDP1
SCHEMBL16633854 0.89 TLR8 (0.43) TLR8TLR9TLR7TSHRTDP1
SCHEMBL16633363 0.88 TLR8 (0.46) TLR8TLR9TLR7TSHRTDP1
SCHEMBL16633362 0.88 TLR8 (0.46) TLR8TLR9TLR7TSHRTDP1
SCHEMBL16633098 0.88 TLR8 (0.45) TLR8TLR9TLR7TSHRTDP1
SCHEMBL16633095 0.88 TLR8 (0.45) TLR8TLR9TLR7TSHRTDP1
SCHEMBL16633791 0.86 USP30 (0.46) USP30TLR8TLR9TLR7
SCHEMBL16634203 0.86 USP30 (0.48) USP30TLR8TLR9TLR7
SCHEMBL16633464 0.86 TLR8 (0.42) TLR8TLR9TLR7TSHRTDP1

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 USP30 4190/4885TLR8 3/4885TLR9 4/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 USP30 4190/4885TLR8 3/4885TLR9 4/4885

“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.