SCHEMBL565826

SCHEMBL565826

COc1nc2c(N)nc(OC(C)C)nc2n1C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
PDE8B O95263 11/20 0.33
TLR7 Q9NYK1 1/20 0.32
GAA P10253 2/20 0.32
YTHDC1 Q96MU7 1/20 0.31
ATR Q13535 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
TP53 P04637 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL20701954 1.00 ADORA2A (0.36) ADORA2AADORA2BPDE8BTLR7GAA
SCHEMBL20261718 0.90 ADORA2A (0.41) ADORA2AADORA2BPDE8BTLR7
SCHEMBL565909 0.90 ADORA2A (0.41) ADORA2AADORA2BPDE8BTLR7
SCHEMBL2195426 0.89 TLR7 (0.37) ADORA2AADORA2BPDE8BTLR7
SCHEMBL2196841 0.88 TLR7 (0.43) ADORA2AADORA2BPDE8BTLR7
SCHEMBL567253 0.88 TLR7 (0.43) ADORA2AADORA2BPDE8BTLR7
SCHEMBL2197219 0.88 TLR7 (0.43) ADORA2AADORA2BPDE8BTLR7
SCHEMBL29697239 0.88 TLR7 (0.43) ADORA2AADORA2BPDE8BTLR7
SCHEMBL565898 0.86 TLR7 (0.41) ADORA2AADORA2BPDE8BTLR7
SCHEMBL1865662 0.86 TLR7 (0.41) ADORA2AADORA2BPDE8BTLR7

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 61 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-20110144136-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2011-06-16 US disclosed
US-20110144136-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2011-06-16 US disclosed
US-20110144136-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2011-06-16 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 ADORA2A 14/4885ADORA2B 20/4885PDE8B 514/4885
US-20110135671-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES IFNG, IFNAR1, STING1 ADORA2A 16/4885ADORA2B 24/4885PDE8B 706/4885
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 ADORA2A 78/4885ADORA2B 46/4885PDE8B 595/4885
US-10117873-B2 6-amino-purin-8-one compounds IFNG, IFNAR1, IRF3 ADORA2A 78/4885ADORA2B 46/4885PDE8B 595/4885
US-20110144136-A1 NOVEL ADENINE DERIVATIVES STING1, IFNG, IFNAR1 ADORA2A 28/4885ADORA2B 35/4885PDE8B 708/4885
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 ADORA2A 78/4885ADORA2B 46/4885PDE8B 595/4885
US-20100075995-A1 COMPOUNDS IFNG, IRF3, IFNAR1 ADORA2A 1039/4885ADORA2B 631/4885PDE8B 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.