SCHEMBL26981101

SCHEMBL26981101

CCCCc1nc2c[n+]([O-])c3ccccc3c2n1Cc1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 18/20 0.66
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ TLR8 Q9NR97 2/20 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
SCHEMBL29947672 1.00 TLR7 (0.66) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL27238439 0.91 TLR7 (0.57) TLR7TLR8
SCHEMBL30824667 0.91 TLR7 (0.57) TLR7TLR8
SCHEMBL27238453 0.86 TLR7 (0.54) TLR7TLR8
SCHEMBL29947634 0.84 TLR7 (0.75) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL29136664 0.84 TLR7 (0.75) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL5364616 0.82 TLR7 (0.48) TLR7
SCHEMBL25962881 0.81 TLR7 (0.49) TLR7
SCHEMBL25950637 0.81 TLR7 (0.42) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL25950619 0.80 TLR7 (0.44) TLR7PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240189440-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-06-13 — — US disclosed
EP-4301417-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES The Research Foundation for The State University of New York (US) 2024-01-10 — — EP 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-20240189440-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES TLR7, TLR8, TLR9 TLR7 1/4885PDE4A 512/4885PDE4B 741/4885

“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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