SCHEMBL26516610

SCHEMBL26516610

COc1ccc(-c2cc3ncc(-c4ccc(N5CCN(C(C)C)CC5)nc4)cc3n2C)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 8/20 0.55
▸ TLR7 Q9NYK1 7/20 0.55
▸ TLR9 Q9NR96 6/20 0.55
▸ MAP4K1 Q92918 3/20 0.48
▸ IL2 P60568 2/20 0.48
▸ ATP1A1 P05023 1/20 0.42
▸ ATP1B1 P05026 1/20 0.42
▸ ATP1A3 P13637 1/20 0.42
▸ ATP1B2 P14415 1/20 0.42
▸ ATP1A2 P50993 1/20 0.42
▸ ATP1B3 P54709 1/20 0.42
▸ FXYD2 P54710 1/20 0.42
▸ ATP1A4 Q13733 1/20 0.42
▸ FYN P06241 2/20 0.42
▸ CFTR P13569 1/20 0.41
▸ ACVR1 Q04771 2/20 0.40
▸ TGFBR1 P36897 1/20 0.39
▸ MET P08581 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39

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 0.89 FYN (0.53) TLR8TLR7TLR9MAP4K1IL2
SCHEMBL26072857 0.83 TLR8 (0.51) TLR8TLR7TLR9MAP4K1IL2
SCHEMBL29394172 0.83 TLR8 (0.51) TLR8TLR7TLR9MAP4K1IL2
SCHEMBL26516586 0.81 CFTR (0.53) TLR8TLR7TLR9CFTRMET
SCHEMBL26516612 0.81 MAP4K1 (0.49) TLR8TLR7TLR9MAP4K1IL2
SCHEMBL30360604 0.79 FYN (0.49) TLR8TLR7TLR9MAP4K1IL2
SCHEMBL26120751 0.79 FYN (0.49) TLR8TLR7TLR9MAP4K1IL2
SCHEMBL30360599 0.79 FYN (0.51) TLR8TLR7TLR9MAP4K1IL2
SCHEMBL26516706 0.79 FYN (0.51) TLR8TLR7TLR9MAP4K1IL2
SCHEMBL26516625 0.76 TGFBR1 (0.63) TLR8TLR7TLR9MAP4K1IL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4200015-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2023-06-28 — — EP claimed
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 TLR8 10/4885TLR7 4/4885TLR9 1/4885

“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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