SCHEMBL26516586

SCHEMBL26516586

COc1ccc(-c2cc3ncc(-c4ccc(C(=O)N5CCN(C(C)C)CC5)cc4)cc3n2C)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 7/20 0.53
▸ TLR9 Q9NR96 2/20 0.50
▸ TLR8 Q9NR97 2/20 0.50
▸ TLR7 Q9NYK1 2/20 0.50
▸ DRD3 P35462 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ MET P08581 1/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41

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
SCHEMBL26516537 0.84 FYN (0.53) CFTRTLR9TLR8TLR7KCNH2
SCHEMBL26516610 0.81 TLR8 (0.55) CFTRTLR9TLR8TLR7MET
SCHEMBL26516612 0.76 MAP4K1 (0.49) TLR9TLR8TLR7KCNH2
SCHEMBL30360604 0.74 FYN (0.49) TLR9TLR8TLR7KCNH2CDK9
SCHEMBL26516706 0.74 FYN (0.51) TLR9TLR8TLR7KCNH2CDK9
SCHEMBL26120751 0.74 FYN (0.49) TLR9TLR8TLR7KCNH2CDK9
SCHEMBL30360599 0.74 FYN (0.51) TLR9TLR8TLR7KCNH2CDK9
SCHEMBL29006620 0.74 PDGFRB (0.47) —
SCHEMBL26516625 0.73 TGFBR1 (0.63) TLR9TLR8TLR7
SCHEMBL30360632 0.70 MAP4K1 (0.48) —

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
CN-115956077-A Substituted heteroaryl compounds as TLR9 inhibitors 百时美施贵宝公司 2023-04-11 — — CN claimed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — US disclosed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — US disclosed
EP-4200015-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2023-06-28 — — EP disclosed
CN-115956077-A Substituted heteroaryl compounds as TLR9 inhibitors 百时美施贵宝公司 2023-04-11 — — CN 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-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 CFTR 52/4885TLR9 1/4885TLR8 10/4885

“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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