SCHEMBL4096439

SCHEMBL4096439

CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(Cc3ccc(CC(=O)O)cc3)C3CN(C)C3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.56
TLR8 Q9NR97 3/20 0.53

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
SCHEMBL4106992 0.94 TLR7 (0.56) TLR7TLR8
SCHEMBL4116794 0.94 TLR7 (0.56) TLR7TLR8
SCHEMBL4098252 0.94 TLR7 (0.55) TLR7TLR8
SCHEMBL4111703 0.94 TLR7 (0.59) TLR7TLR8
SCHEMBL4116088 0.93 TLR7 (0.58) TLR7TLR8
SCHEMBL13902599 0.93 TLR7 (0.67) TLR7TLR8
SCHEMBL4111422 0.92 TLR7 (0.53) TLR7TLR8
SCHEMBL4634617 0.89 TLR7 (0.53) TLR7TLR8
SCHEMBL4116773 0.89 TLR7 (0.51) TLR7TLR8
SCHEMBL4102579 0.88 TLR7 (0.65) TLR7TLR8

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
US-20090082332-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS ABBOT PHILIP 2009-03-26 US claimed
EP-1928877-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS Astra Zeneca AB (SE) 2008-06-11 EP claimed
WO-2007034173-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS ASTRAZENECA AB (SE) 2007-03-29 WO claimed
US-20090082332-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS ABBOT PHILIP 2009-03-26 US disclosed
EP-1928877-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS Astra Zeneca AB (SE) 2008-06-11 EP disclosed
WO-2007034173-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS ASTRAZENECA AB (SE) 2007-03-29 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 (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-20090082332-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS ADORA3, ADORA1, P2RX1 TLR7 271/4885TLR8 1382/4885

“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.