SCHEMBL731579

SCHEMBL731579

CCCCOc1nc(N)c2[nH]c(=O)n(CCCN)c2n1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.75
TLR8 Q9NR97 1/20 0.67

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
SCHEMBL3360321 0.92 TLR7 (0.76) TLR7TLR8
SCHEMBL2587945 0.91 TLR7 (0.75) TLR7TLR8
SCHEMBL1501487 0.90 TLR7 (0.74) TLR7TLR8
SCHEMBL1847376 0.87 TLR7 (0.92) TLR7TLR8
SCHEMBL1850014 0.87 TLR7 (0.90) TLR7TLR8
SCHEMBL2579983 0.86 TLR7 (0.73) TLR7TLR8
SCHEMBL567027 0.86 TLR7 (0.94) TLR7TLR8
SCHEMBL567197 0.86 TLR7 (0.96) TLR7TLR8
SCHEMBL1846454 0.86 TLR7 (0.88) TLR7TLR8
SCHEMBL1843707 0.86 TLR7 (0.89) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138172-B2 8-oxoadenine derivatives acting as modulators of TLR7 ASTRAZENECA AB (SE) 2012-03-20 US disclosed
US-20100240623-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 ASTRAZENECA AB (SE) 2010-09-23 US disclosed
EP-2041135-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 Astra Zeneca AB (SE) 2009-04-01 EP disclosed
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-2008004948-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 ASTRAZENECA AB (SE) 2008-01-10 WO 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 (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-20090082332-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS ADORA3, ADORA1, P2RX1 TLR7 271/4885TLR8 1382/4885
US-20100240623-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 TLR7, TLR8, TLR9 TLR7 1/4885TLR8 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.