SCHEMBL30541672

SCHEMBL30541672

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 3/20 0.36
▸ TLR8 Q9NR97 3/20 0.36
▸ TLR7 Q9NYK1 3/20 0.36
▸ TGFBR1 P36897 2/20 0.36
▸ ACVR1 Q04771 2/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ GAA P10253 1/20 0.34
▸ SHMT2 P34897 1/20 0.34
▸ NPC1 O15118 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
SCHEMBL25365933 1.00 TLR9 (0.36) TLR9TLR8TLR7TGFBR1ACVR1
SCHEMBL25364535 0.92 TLR9 (0.39) TLR9TLR8TLR7TGFBR1ACVR1
SCHEMBL30541602 0.92 TLR9 (0.39) TLR9TLR8TLR7TGFBR1ACVR1
SCHEMBL30541634 0.89 TLR9 (0.37) TLR9TLR8TLR7MAP4K1KDM4E
SCHEMBL25365431 0.89 TLR9 (0.37) TLR9TLR8TLR7MAP4K1KDM4E
SCHEMBL25365763 0.88 ACVR1 (0.47) TLR9TLR8TLR7TGFBR1ACVR1
SCHEMBL30541640 0.88 ACVR1 (0.47) TLR9TLR8TLR7TGFBR1ACVR1
SCHEMBL30541654 0.87 MAP4K1 (0.39) TGFBR1ACVR1MAP4K1KDM4EALDH1A1
SCHEMBL25364542 0.87 MAP4K1 (0.39) TGFBR1ACVR1MAP4K1KDM4EALDH1A1
SCHEMBL25365889 0.86 TLR8 (0.37) TLR9TLR8TLR7MAP4K1KCNH2

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 3 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 disclosed
EP-4479407-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2024-12-25 — — EP 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 TLR9 1/4885TLR8 11/4885TLR7 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.

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