SCHEMBL6574236

SCHEMBL6574236

CCc1cnc([C@H]2O[C@@H](n3cnc4c(Cl)ncnc43)[C@H](O)[C@@H]2O)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.52
ADORA3 P0DMS8 6/20 0.46
ADORA2A P29274 5/20 0.46
ADORA2B P29275 5/20 0.46
ADORA1 P30542 5/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
AHCY P23526 3/20 0.43
EHMT1 Q9H9B1 1/20 0.42
SLC29A1 Q99808 3/20 0.42
DPP4 P27487 1/20 0.42
MEN1 O00255 1/20 0.42
SLC28A1 O00337 1/20 0.42
MAP3K7 O43318 1/20 0.42
SLC28A2 O43868 1/20 0.42
GAPDH P04406 1/20 0.42
MAPK1 P28482 1/20 0.42
STAT6 P42226 1/20 0.42

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
SCHEMBL6576815 0.84 ALDH1A1 (0.47) TYMPADORA3ADORA2AADORA2BADORA1
SCHEMBL6576837 0.84 ALDH1A1 (0.47) TYMPADORA3ADORA2AADORA2BADORA1
SCHEMBL6572952 0.82 PI4KA (0.46) TYMPADORA3ADORA2AADORA2BADORA1
SCHEMBL6796631 0.82 PI4KA (0.46) TYMPADORA3ADORA2AADORA2BADORA1
SCHEMBL6573247 0.81 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1SLC29A1
SCHEMBL6573236 0.81 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1SLC29A1
SCHEMBL6573836 0.80 ADORA3 (0.51) ADORA3ADORA2AADORA2BADORA1SLC29A1
SCHEMBL6572907 0.80 ADORA3 (0.65) ADORA3ADORA2AADORA2BADORA1SLC29A1
SCHEMBL6572805 0.79 ADORA2A (0.64) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6576714 0.79 ADORA1 (0.65) ADORA3ADORA2AADORA2BADORA1SLC29A1

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 532/4885ADORA3 1/4885ADORA2A 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.