SCHEMBL22463511

SCHEMBL22463511

CCc1c(-c2ccnc(C)c2)[nH]c2ccc(CNC(=O)C3CCN(C)CC3)cc12

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 20/20 0.66
▸ TLR8 Q9NR97 20/20 0.66
▸ TLR7 Q9NYK1 20/20 0.66

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
SCHEMBL29929246 1.00 TLR9 (0.66) TLR9TLR8TLR7
SCHEMBL22463619 0.87 TLR9 (0.64) TLR9TLR8TLR7
SCHEMBL29928972 0.87 TLR9 (0.64) TLR9TLR8TLR7
SCHEMBL22463185 0.86 TLR8 (0.59) TLR9TLR8TLR7
SCHEMBL29928969 0.86 TLR8 (0.59) TLR9TLR8TLR7
SCHEMBL22463621 0.83 TLR8 (0.58) TLR9TLR8TLR7
SCHEMBL22463533 0.83 TLR9 (0.65) TLR9TLR8TLR7
SCHEMBL29929100 0.83 TLR9 (0.65) TLR9TLR8TLR7
SCHEMBL19951759 0.80 TLR9 (1.00) TLR9TLR8TLR7
SCHEMBL29583797 0.80 TLR9 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111491930-B Substituted Indole Compounds Useful as TLR Inhibitors 百时美施贵宝公司 2023-09-26 — — CN claimed
EP-3728225-B1 SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-11-09 — — EP claimed
EP-3728225-A1 SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS Bristol-Myers Squibb Company (US) 2020-10-28 — — EP claimed
US-20200308172-A1 SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-10-01 — — US claimed
CN-111491930-A Substituted indole compounds useful as T L R inhibitors 百时美施贵宝公司 2020-08-04 — — CN claimed
US-20200308172-A1 SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-10-01 — — US 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-20200308172-A1 SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS TLR1, TLR7, TLR9 TLR9 3/4885TLR8 6/4885TLR7 2/4885

“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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