SCHEMBL567253

SCHEMBL567253

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.43
TLR8 Q9NR97 7/20 0.43
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
PDE8B O95263 6/20 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
SCHEMBL29697239 1.00 TLR7 (0.43) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL2196841 1.00 TLR7 (0.43) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL2197219 1.00 TLR7 (0.43) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL1865662 0.94 TLR7 (0.41) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL565898 0.94 TLR7 (0.41) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL565909 0.92 ADORA2A (0.41) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL20261718 0.92 ADORA2A (0.41) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL2195426 0.89 TLR7 (0.37) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL20701954 0.88 ADORA2A (0.36) TLR7ADORA2AADORA2BPDE8B
SCHEMBL565826 0.88 ADORA2A (0.36) TLR7ADORA2AADORA2BPDE8B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218377-B1 ADENINE DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT OF ALLERGIC DISEASES OR OTHER INFLAMMATORY CONDITIONS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2022-04-13 EP disclosed
US-11207404-B2 Compositions and uses GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2021-12-28 US disclosed
US-10919894-B2 Adenine derivatives which are useful in the treatment of allergic diseases or other inflammatory conditions GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2021-02-16 US disclosed
US-10919894-B2 Adenine derivatives which are useful in the treatment of allergic diseases or other inflammatory conditions GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2021-02-16 US disclosed
US-20200345841-A1 COMPOSITIONS AND USES GLAXOSMITHKLINE BIOLOGICALS, SA (BE) 2020-11-05 US disclosed
US-20200223849-A1 ADENINE DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT OF ALLERGIC DISEASES OR OTHER INFLAMMATORY CONDITIONS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2020-07-16 US disclosed
US-20200223849-A1 ADENINE DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT OF ALLERGIC DISEASES OR OTHER INFLAMMATORY CONDITIONS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2020-07-16 US disclosed
US-10646566-B2 Compositions and uses GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2020-05-12 US disclosed
US-10584125-B2 Adenine derivatives which are useful in the treatment of allergic diseases or other inflammatory conditions GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2020-03-10 US disclosed
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2019-02-07 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
WO-2010018130-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
WO-2010018134-A1 NOVEL ADENINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
WO-2010018133-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
EP-2125792-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
WO-2008101867-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-08-28 WO disclosed
WO-2008101867-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-08-28 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 (8 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-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R TLR7 38/4885TLR8 34/4885ADORA2A 907/4885
US-20200345841-A1 COMPOSITIONS AND USES CD74, HLA-DRB1, CXCL10 TLR7 11/4885TLR8 63/4885ADORA2A 631/4885
US-10584125-B2 Adenine derivatives which are useful in the treatment of allergic diseases or other inflammatory conditions HRH3, HRH4, HRH1 TLR7 15/4885TLR8 91/4885ADORA2A 21/4885
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 TLR7 7/4885TLR8 15/4885ADORA2A 78/4885
US-20200223849-A1 ADENINE DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT OF ALLERGIC DISEASES OR OTHER INFLAMMATORY CONDITIONS HRH3, HRH4, HRH1 TLR7 15/4885TLR8 89/4885ADORA2A 22/4885
US-10646566-B2 Compositions and uses CD74, HLA-DRB1, CXCL10 TLR7 11/4885TLR8 63/4885ADORA2A 631/4885
US-11207404-B2 Compositions and uses CD74, HLA-DRB1, CXCL10 TLR7 11/4885TLR8 63/4885ADORA2A 631/4885
US-10919894-B2 Adenine derivatives which are useful in the treatment of allergic diseases or other inflammatory conditions HRH3, HRH4, HRH1 TLR7 15/4885TLR8 91/4885ADORA2A 21/4885

“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.