SCHEMBL6576927

SCHEMBL6576927

CC(C)(C)c1nnc([C@H]2O[C@@H](n3cnc4c(Cl)ncnc43)[C@H](O)[C@@H]2O)o1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.52
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ADORA1 P30542 5/20 0.43
ADORA3 P0DMS8 5/20 0.43
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
AHCY P23526 3/20 0.42
SLC29A1 Q99808 1/20 0.41

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
SCHEMBL7189813 0.82 PI4KA (0.44) TYMPPDE4APDE4BPDE4CPDE4D
SCHEMBL5529334 0.82 PI4KA (0.44) TYMPPDE4APDE4BPDE4CPDE4D
SCHEMBL14390216 0.82 PI4KA (0.44) TYMPPDE4APDE4BPDE4CPDE4D
SCHEMBL5529325 0.82 PI4KA (0.44) TYMPPDE4APDE4BPDE4CPDE4D
SCHEMBL6573870 0.81 ADORA3 (0.60) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL6574679 0.80 ADORA3 (0.53) ADORA1ADORA3ADORA2AADORA2BPRMT5
SCHEMBL6574202 0.80 ADORA3 (0.52) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL6574578 0.80 ADORA2A (0.60) ADORA1ADORA3ADORA2AADORA2BSLC29A1
Gw493838 SCHEMBL6696560 0.80 ADORA3 (0.66) ADORA1ADORA3ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL6935807 0.80 ADORA3 (0.66) ADORA1ADORA3ADORA2AADORA2BPRMT5

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
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP disclosed
US-6677316-B2 TREATING ISCHEMIA, CARDIOVASCULAR DISORDERS, STROKE, PAIN, NERVOUS SYSTEM DISORDERS OR SLEEP APNEA; ADENOSINE A1 RECEPTOR AGONIST; 2-(3-(TERT-BUTYL)-1,2,4-OXADIAZOL-5-YL)-5-(6-(ISOBUTYLAMINO)-9H-PURIN-9-YL) TETRAHYDROFURAN-3,4-DIOL SMITHKLINE BEECHAM CORPORATION 2004-01-13 US disclosed
US-20030096788-A1 Adenosine derivatives GLAXO WELLCOME INC. 2003-05-22 US disclosed
US-6492348-B1 Adenosine derivatives SMITHKLINE BEECHAM CORPORATION 2002-12-10 US disclosed
EP-1090019-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP disclosed
WO-1999067262-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 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-20030096788-A1 Adenosine derivatives ADORA3, ADORA2A, ADORA1 TYMP 532/4885PDE4A 43/4885PDE4B 72/4885

“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.