SCHEMBL6829151

SCHEMBL6829151

Cc1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@]4(O)C(C)(C)[C@@]34O)c2n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.40
ADORA3 P0DMS8 7/20 0.36
ADORA1 P30542 4/20 0.36
ADORA2B P29275 3/20 0.36
ADA P00813 1/20 0.36
ALOX15 P16050 1/20 0.36
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL5786575 0.84 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2BPI4KA
SCHEMBL259325 0.77 HPGD (0.49) ADORA2AADORA3
SCHEMBL28398343 0.77 HPGD (0.49) ADORA2AADORA3
SCHEMBL28156591 0.76 ADORA2A (0.64) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL1078828 0.76 ADORA2A (0.64) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL5987749 0.76 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2BPI4KA
SCHEMBL258849 0.76 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL15633799 0.75 ADORA3 (0.50) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL258929 0.74 ADORA3 (0.59) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8306794 0.74 ADORA3 (0.49) ADORA2AADORA3ADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADORA2A 9/4885ADORA3 2/4885ADORA1 3/4885

“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.