SCHEMBL6659124

SCHEMBL6659124

COC[C@@H](CF)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC)[C@@H](O)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.64
ADORA1 P30542 2/20 0.60
PRKAG1 P54619 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PRKAB1 Q9Y478 1/20 0.55
ADORA2A P29274 2/20 0.54
ADORA2B P29275 1/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 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
SCHEMBL6659893 0.89 ADORA3 (0.66) ADORA3ADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL6659440 0.86 ADORA3 (0.65) ADORA3ADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL6661320 0.84 ADORA3 (0.67) ADORA3ADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL9620148 0.83 ADORA3 (0.74) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL9413282 0.83 ADORA3 (0.74) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6659130 0.83 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6659900 0.81 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6662994 0.81 ADORA3 (0.71) ADORA3ADORA1
SCHEMBL6663002 0.81 ADORA3 (0.71) ADORA3ADORA1
SCHEMBL6661329 0.80 ADORA3 (0.67) ADORA3ADORA1ADORA2AADORA2B

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-1030856-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP claimed
US-20030158146-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2003-08-21 US claimed
EP-1030856-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
US-6740644-B2 ADENOSINE DERIVATIVES, AGONISTS AT THE ADENOSINE A1 RECEPTOR SMITHKLINE BEECHAM CORPORATION 2004-05-25 US disclosed
US-20030158146-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2003-08-21 US disclosed
US-6544960-B1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2003-04-08 US disclosed
EP-1030856-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
WO-1999024451-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 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-20030158146-A1 Chemical compounds CNR1, ADORA3, ADORA1 ADORA3 2/4885ADORA1 3/4885PRKAG1 2560/4885

“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.