SCHEMBL565898

SCHEMBL565898

CCCC[C@H](C)Oc1nc(N)c2nc(OC)n(C3CCCCO3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.41
TLR8 Q9NR97 7/20 0.38
PDE8B O95263 3/20 0.35
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL1865662 1.00 TLR7 (0.41) TLR7TLR8PDE8BADORA2AADORA2B
SCHEMBL29697239 0.94 TLR7 (0.43) TLR7TLR8PDE8BADORA2AADORA2B
SCHEMBL567253 0.94 TLR7 (0.43) TLR7TLR8PDE8BADORA2AADORA2B
SCHEMBL2197219 0.94 TLR7 (0.43) TLR7TLR8PDE8BADORA2AADORA2B
SCHEMBL2196841 0.94 TLR7 (0.43) TLR7TLR8PDE8BADORA2AADORA2B
SCHEMBL565909 0.91 ADORA2A (0.41) TLR7TLR8PDE8BADORA2AADORA2B
SCHEMBL20261718 0.91 ADORA2A (0.41) TLR7TLR8PDE8BADORA2AADORA2B
SCHEMBL567026 0.88 TLR7 (0.41) TLR7TLR8PDE8BADORA2AADORA2B
SCHEMBL3265229 0.88 TLR7 (0.41) TLR7TLR8PDE8BADORA2AADORA2B
SCHEMBL2195426 0.88 TLR7 (0.37) TLR7TLR8PDE8BADORA2AADORA2B

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2019-02-07 US disclosed
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2019-02-07 US disclosed
US-10117873-B2 6-amino-purin-8-one compounds GLAXOSMITHKLINE LLC (US) 2018-11-06 US disclosed
EP-3336089-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GlaxoSmithKline LLC (US) 2018-06-20 EP disclosed
EP-3336089-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GlaxoSmithKline LLC (US) 2018-06-20 EP disclosed
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2018-05-03 US disclosed
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2018-05-03 US disclosed
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2018-05-03 US disclosed
US-9877968-B2 6-amino-purin-8-one compounds GLAXOSMITHKLINE LLC (US) 2018-01-30 US disclosed
US-9877968-B2 6-amino-purin-8-one compounds GLAXOSMITHKLINE LLC (US) 2018-01-30 US disclosed
US-20110229500-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2011-09-22 US disclosed
US-20110229500-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2011-09-22 US disclosed
US-20110135671-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2011-06-09 US disclosed
US-20110135671-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2011-06-09 US disclosed
US-20110135671-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2011-06-09 US disclosed
EP-2324025-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES Smithkline Beecham Corporation (US) 2011-05-25 EP disclosed
US-20100075995-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-03-25 US disclosed
US-20100075995-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-03-25 US disclosed
US-20100075995-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-03-25 US disclosed
WO-2010018131-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 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 (6 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-20110229500-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES IFNAR1, IFNG, STING1 TLR7 10/4885TLR8 88/4885PDE8B 514/4885
US-20110135671-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES IFNG, IFNAR1, STING1 TLR7 19/4885TLR8 174/4885PDE8B 706/4885
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 TLR7 7/4885TLR8 15/4885PDE8B 595/4885
US-10117873-B2 6-amino-purin-8-one compounds IFNG, IFNAR1, IRF3 TLR7 7/4885TLR8 15/4885PDE8B 595/4885
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 TLR7 7/4885TLR8 15/4885PDE8B 595/4885
US-20100075995-A1 COMPOUNDS IFNG, IRF3, IFNAR1 TLR7 8/4885TLR8 53/4885PDE8B 1693/4885

“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.