SCHEMBL25365889

SCHEMBL25365889

COc1ccc(-c2nc3c(C)nc(-c4ccc(N5CC6(C5)CN(C5CCC5)C6)cc4)cc3n2C)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.37
▸ TLR7 Q9NYK1 4/20 0.37
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAP4K1 Q92918 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GAK O14976 2/20 0.34
▸ TLR9 Q9NR96 3/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL30541556 1.00 TLR8 (0.37) TLR8TLR7TSHRALDH1A1MAPK1
SCHEMBL25366005 0.92 TLR7 (0.39) TLR8TLR7TSHRALDH1A1MAPK1
SCHEMBL30541627 0.92 TLR7 (0.39) TLR8TLR7TSHRALDH1A1MAPK1
SCHEMBL30541633 0.91 MAPT (0.36) TSHRALDH1A1MAPK1KDM4EHPGD
SCHEMBL25363879 0.91 MAPT (0.36) TSHRALDH1A1MAPK1KDM4EHPGD
SCHEMBL25365293 0.89 TLR7 (0.45) TLR8TLR7TSHRALDH1A1MAPK1
SCHEMBL30541626 0.89 TLR7 (0.45) TLR8TLR7TSHRALDH1A1MAPK1
SCHEMBL25365264 0.88 ALDH1A1 (0.36) TLR8TLR7TSHRALDH1A1MAPK1
SCHEMBL30541604 0.88 ALDH1A1 (0.36) TLR8TLR7TSHRALDH1A1MAPK1
SCHEMBL25365933 0.86 TLR9 (0.36) TLR8TLR7TSHRALDH1A1MAPK1

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 TLR8 11/4885TLR7 4/4885TSHR 1521/4885

“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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