SCHEMBL6576575

SCHEMBL6576575

COCc1noc([C@H]2O[C@@H](n3cnc4c(NC5CCCC5)ncnc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.65
TSHR P16473 3/20 0.59
ADORA2A P29274 3/20 0.59
PMP22 Q01453 2/20 0.59
ADORA2B P29275 2/20 0.59
ADORA1 P30542 2/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
SLC29A1 Q99808 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TP53 P04637 1/20 0.59
NFKB1 P19838 1/20 0.59
HIF1A Q16665 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CYP2C19 P33261 1/20 0.58
THPO P40225 1/20 0.58

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
SCHEMBL6574959 0.86 ADORA3 (0.62) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL6572906 0.83 ADORA3 (0.60) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL6572956 0.80 ADORA3 (0.58) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL6576787 0.80 ADORA3 (0.58) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL6572451 0.80 ADORA2A (0.62) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL6574214 0.79 ADORA2A (0.57) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL14906549 0.79 ADORA3 (1.00) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL8457380 0.78 ADORA3 (0.75) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL13268988 0.78 ADORA3 (0.98) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL6573828 0.78 ADORA1 (0.55) ADORA3TSHRADORA2APMP22ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP claimed
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 claimed
US-20030096788-A1 Adenosine derivatives GLAXO WELLCOME INC. 2003-05-22 US 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 1/4885TSHR 627/4885ADORA2A 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.