SCHEMBL2811064

SCHEMBL2811064

CCc1cc([C@H]2O[C@@H](n3cnc4c(N[C@H](CO)Cc5ccccc5)nc(N5CC[C@@H](NC(=O)NCc6cccc(O)c6)C5)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.44
ADORA2A P29274 10/20 0.40
ADORA2B P29275 6/20 0.40
ADORA3 P0DMS8 4/20 0.40

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
SCHEMBL2811069 1.00 ADORA1 (0.44) ADORA1ADORA2AADORA2BADORA3
SCHEMBL2811066 1.00 ADORA1 (0.44) ADORA1ADORA2AADORA2BADORA3
SCHEMBL2808379 0.96 ADORA1 (0.45) ADORA1ADORA2AADORA2BADORA3
SCHEMBL11968421 0.96 ADORA1 (0.45) ADORA1ADORA2AADORA2BADORA3
SCHEMBL2808378 0.96 ADORA1 (0.45) ADORA1ADORA2AADORA2BADORA3
SCHEMBL2808375 0.96 ADORA1 (0.45) ADORA1ADORA2AADORA2BADORA3
SCHEMBL2804946 0.90 ADORA2A (0.49) ADORA1ADORA2AADORA2BADORA3
SCHEMBL2804941 0.90 ADORA2A (0.49) ADORA1ADORA2AADORA2BADORA3
SCHEMBL2804943 0.90 ADORA2A (0.49) ADORA1ADORA2AADORA2BADORA3
SCHEMBL2805181 0.89 ADORA2A (0.46) ADORA1ADORA2AADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044070-B1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2012-08-22 EP claimed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US claimed
EP-2044070-B1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-1889846-A1 Purine derivatives as A2a agonists Novartis AG (CH) 2008-02-20 EP 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-20100240680-A1 Purine derivatives as a2a agonists ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885ADORA2B 4/4885

“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.