SCHEMBL6572907

SCHEMBL6572907

CCc1cnc([C@H]2O[C@@H](n3cnc4c(NC5CCOCC5)ncnc43)[C@H](O)[C@@H]2O)o1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.65
ADORA1 P30542 6/20 0.65
ADORA2A P29274 6/20 0.65
ADORA2B P29275 4/20 0.57
SLC29A1 Q99808 2/20 0.57
SLC28A1 O00337 1/20 0.57
TSHR P16473 2/20 0.54
PMP22 Q01453 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
HIF1A Q16665 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL6576714 0.95 ADORA1 (0.65) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL6573247 0.92 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL6573236 0.92 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL6879425 0.86 ADORA1 (0.55) ADORA3ADORA1ADORA2AADORA2BPMP22
SCHEMBL6879421 0.86 ADORA1 (0.55) ADORA3ADORA1ADORA2AADORA2BPMP22
SCHEMBL6572805 0.86 ADORA2A (0.64) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6576742 0.84 ADORA1 (0.53) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6574707 0.82 ADORA2A (0.64) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL6575528 0.81 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL6574578 0.81 ADORA2A (0.60) ADORA3ADORA1ADORA2AADORA2BSLC29A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP claimed
JP-3378240-B2 2003-02-17 JP claimed
US-6492348-B1 Adenosine derivatives SMITHKLINE BEECHAM CORPORATION 2002-12-10 US claimed
JP-2002518509-A 2002-06-25 JP claimed
EP-1090019-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP claimed
WO-1999067262-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO claimed
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

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 ADORA3 1/4885ADORA1 3/4885ADORA2A 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.