SCHEMBL21062190

SCHEMBL21062190

CCc1c(-c2ccnc(C)c2)[nH]c2ccc(OCC3CCN(C)CC3)cc12

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 20/20 0.71
▸ TLR8 Q9NR97 20/20 0.71
▸ TLR7 Q9NYK1 20/20 0.71

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
SCHEMBL29845031 1.00 TLR9 (0.71) TLR9TLR8TLR7
SCHEMBL21062564 0.89 TLR9 (0.72) TLR9TLR8TLR7
SCHEMBL29844820 0.89 TLR9 (0.72) TLR9TLR8TLR7
SCHEMBL23066330 0.88 TLR8 (0.70) TLR9TLR8TLR7
SCHEMBL29844808 0.88 TLR8 (0.70) TLR9TLR8TLR7
SCHEMBL21062319 0.86 TLR8 (0.68) TLR9TLR8TLR7
SCHEMBL29844830 0.86 TLR8 (0.68) TLR9TLR8TLR7
SCHEMBL19952224 0.83 TLR9 (1.00) TLR9TLR8TLR7
SCHEMBL29584931 0.83 TLR9 (1.00) TLR9TLR8TLR7
SCHEMBL21062353 0.82 TLR9 (0.59) TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 — — US claimed
CN-111527080-B Substituted indole ether compounds 百时美施贵宝公司 2023-09-22 — — CN claimed
EP-3724183-B1 SUBSTITUTED INDOLE ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-08-17 — — EP claimed
US-20210070751-A1 SUBSTITUTED INDOLE ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-03-11 — — US claimed
EP-3724183-A1 SUBSTITUTED INDOLE ETHER COMPOUNDS Bristol-Myers Squibb Company (US) 2020-10-21 — — EP claimed
CN-111527080-A Substituted indole ether compounds 百时美施贵宝公司 2020-08-11 — — CN claimed
WO-2019118799-A1 SUBSTITUTED INDOLE ETHER COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-20 — — WO claimed
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 — — US disclosed
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 — — US disclosed
CN-111527080-B Substituted indole ether compounds 百时美施贵宝公司 2023-09-22 — — CN disclosed
EP-3724183-B1 SUBSTITUTED INDOLE ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-08-17 — — EP disclosed
US-20210070751-A1 SUBSTITUTED INDOLE ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-03-11 — — US disclosed
US-20210070751-A1 SUBSTITUTED INDOLE ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-03-11 — — US disclosed
EP-3724183-A1 SUBSTITUTED INDOLE ETHER COMPOUNDS Bristol-Myers Squibb Company (US) 2020-10-21 — — EP disclosed
CN-111527080-A Substituted indole ether compounds 百时美施贵宝公司 2020-08-11 — — CN disclosed
WO-2019118799-A1 SUBSTITUTED INDOLE ETHER COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-20 — — 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 (2 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-20210070751-A1 SUBSTITUTED INDOLE ETHER COMPOUNDS TLR7, TLR8, TLR1 TLR9 4/4885TLR8 2/4885TLR7 1/4885
US-12030878-B2 Substituted indole ether compounds TLR7, TLR8, TLR1 TLR9 4/4885TLR8 2/4885TLR7 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.

Send feedback