SCHEMBL2806229

SCHEMBL2806229

NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3nc(NCC(c4ccc(O)cc4)c4ccc(O)cc4)c4ncn([C@@H]5O[C@H](c6nnn(CCO)n6)[C@@H](O)[C@H]5O)c4n3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.43
ADORA3 P0DMS8 13/20 0.40
ADORA1 P30542 13/20 0.40
ADORA2B P29275 12/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL4619672 1.00 ADORA2A (0.43) ADORA2AADORA3ADORA1ADORA2BCA12
SCHEMBL4619666 1.00 ADORA2A (0.43) ADORA2AADORA3ADORA1ADORA2BCA12
SCHEMBL11968517 0.96 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2BCA12
SCHEMBL2806275 0.96 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2BCA12
SCHEMBL2806273 0.96 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2BCA12
SCHEMBL2806278 0.96 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2BCA12
SCHEMBL2807653 0.95 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL12049803 0.95 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL2807659 0.95 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL2807657 0.95 ADORA2A (0.45) 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 10 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-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 ADORA2A 1/4885ADORA3 3/4885ADORA1 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.