SCHEMBL4801562

SCHEMBL4801562

Nc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)C(O)C2O)cc1I

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.78
ADORA3 P0DMS8 5/20 0.76
ADORA2A P29274 2/20 0.76
ADORA1 P30542 2/20 0.76
ADORA2B P29275 1/20 0.76
PRKAG1 P54619 1/20 0.76
PRKAA1 Q13131 1/20 0.76
PRKAB1 Q9Y478 1/20 0.76
TP53 P04637 1/20 0.72
TDP1 Q9NUW8 1/20 0.72

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
SCHEMBL5497088 1.00 SLC29A1 (0.78) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL9033402 0.92 TSHR (0.78) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL9033409 0.92 TSHR (0.78) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL640593 0.90 SLC29A1 (0.77) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL29463998 0.90 SLC29A1 (0.77) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL640594 0.90 SLC29A1 (0.77) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL639285 0.89 SLC29A1 (0.77) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL639284 0.89 SLC29A1 (0.77) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL17825968 0.88 SLC29A1 (1.00) SLC29A1ADORA3PRKAG1PRKAA1PRKAB1
SCHEMBL20626394 0.88 SLC29A1 (1.00) SLC29A1ADORA3PRKAG1PRKAA1PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396825-B2 Agonists of A2A adenosine receptors for treatment of diabetic nephropathy UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-07-08 US disclosed
EP-1778712-A2 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-05-02 EP disclosed
EP-1746885-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATMENT OF DIABETIC NEPHROPATHY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-01-31 EP disclosed
WO-2006015357-A2 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-02-09 WO disclosed
US-20050261236-A1 Agonists of A2A adenosine receptors for treatment of diabetic nephropathy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-24 US disclosed
WO-2005107463-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATMENT OF DIABETIC NEPHROPATHY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-11-17 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-20050261236-A1 Agonists of A2A adenosine receptors for treatment of diabetic nephropathy ADORA2A, ADORA3, PDE4A SLC29A1 257/4885ADORA3 2/4885ADORA2A 1/4885

“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.