SCHEMBL22898736

SCHEMBL22898736

CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(CO)CO

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 19/20 0.81
▸ TLR8 Q9NR97 13/20 0.81
▸ NUDT1 P36639 1/20 0.81

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
SCHEMBL29663892 1.00 TLR7 (0.81) TLR7TLR8NUDT1
Resiquimod SCHEMBL34159 0.89 TLR7 (1.00) TLR7TLR8NUDT1
Resiquimod SCHEMBL21352711 0.89 TLR7 (1.00) TLR7TLR8NUDT1
SCHEMBL24880278 0.89 TLR7 (0.88) TLR7TLR8NUDT1
Resiquimod SCHEMBL29358122 0.89 TLR7 (1.00) TLR7TLR8NUDT1
SCHEMBL20199817 0.89 TLR7 (1.00) TLR7TLR8NUDT1
Resiquimod SCHEMBL2262583 0.88 TLR7 (0.98) TLR7TLR8NUDT1
Resiquimod SCHEMBL2266073 0.88 TLR7 (0.98) TLR7TLR8NUDT1
SCHEMBL675585 0.88 TLR7 (0.85) TLR7TLR8NUDT1
SCHEMBL22898837 0.88 TLR7 (0.65) TLR7TLR8NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114364677-B Imidazo [4,5-C ] pyridine derivatives as TOLL-like receptor agonists 辉瑞公司 2024-07-09 — — CN claimed
WO-2023079428-A1 COMBINATION THERAPIES USING TLR7/8 AGONIST PFIZER INC. (US) 2023-05-11 — — WO claimed
CN-114364677-A Imidazo [4,5-C ] pyridine derivatives as TOLL-like receptor agonists 辉瑞公司 2022-04-15 — — CN claimed
CN-114364677-B Imidazo [4,5-C ] pyridine derivatives as TOLL-like receptor agonists 辉瑞公司 2024-07-09 — — CN disclosed
WO-2023079428-A1 COMBINATION THERAPIES USING TLR7/8 AGONIST PFIZER INC. (US) 2023-05-11 — — WO disclosed
US-11339159-B2 Toll-like receptor agonists PFIZER INC. (US) 2022-05-24 — — US disclosed
CN-114364677-A Imidazo [4,5-C ] pyridine derivatives as TOLL-like receptor agonists 辉瑞公司 2022-04-15 — — CN disclosed
US-20210017172-A1 TOLL-LIKE RECEPTOR AGONISTS PFIZER INC. (US) 2021-01-21 — — US disclosed
WO-2021009676-A1 IMIDAZO[4,5-C]PYRIDINE DERIVATIVES AS TOLL-LIKE RECEPTOR AGONSITS PFIZER INC. (US) 2021-01-21 — — 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-20210017172-A1 TOLL-LIKE RECEPTOR AGONISTS TLR3, TLR1, TLR4 TLR7 4/4885TLR8 9/4885NUDT1 1476/4885
US-11339159-B2 Toll-like receptor agonists TLR3, TLR1, TLR4 TLR7 4/4885TLR8 9/4885NUDT1 1476/4885

“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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