SCHEMBL25366005

SCHEMBL25366005

COc1ccc(-c2nc3c(C)nc(-c4ccc(N5CCC6(CC5)CN(C5CCC5)C6)cc4)cc3n2C)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 5/20 0.39
▸ TLR8 Q9NR97 4/20 0.39
▸ KCNH2 Q12809 3/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ADRA1A P35348 1/20 0.34
▸ GAK O14976 1/20 0.34
▸ MEN1 O00255 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
SCHEMBL30541627 1.00 TLR7 (0.39) TLR7TLR8KCNH2HRH3MAP4K1
SCHEMBL25365889 0.92 TLR8 (0.37) TLR7TLR8KCNH2HRH3MAP4K1
SCHEMBL30541556 0.92 TLR8 (0.37) TLR7TLR8KCNH2HRH3MAP4K1
SCHEMBL30541645 0.92 TBK1 (0.37) MAP4K1ALDH1A1HPGDKDM4ETSHR
SCHEMBL25365573 0.92 TBK1 (0.37) MAP4K1ALDH1A1HPGDKDM4ETSHR
SCHEMBL25365293 0.91 TLR7 (0.45) TLR7TLR8KCNH2HRH3MAP4K1
SCHEMBL30541626 0.91 TLR7 (0.45) TLR7TLR8KCNH2HRH3MAP4K1
SCHEMBL25364535 0.86 TLR9 (0.39) TLR7TLR8KCNH2MAP4K1ALDH1A1
SCHEMBL30541602 0.86 TLR9 (0.39) TLR7TLR8KCNH2MAP4K1ALDH1A1
SCHEMBL25365264 0.85 ALDH1A1 (0.36) TLR7TLR8KCNH2HRH3MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163054-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-22 — — US claimed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO claimed
US-20250163054-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-22 — — US disclosed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO 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 (1 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-20250163054-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 TLR7 4/4885TLR8 11/4885KCNH2 3595/4885

“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.

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