SCHEMBL2808515

SCHEMBL2808515

NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3nc(NCC(c4ccc(O)cc4)c4ccc(O)cc4)c4ncn([C@@H]5C[C@H](n6cc(CO)cn6)[C@@H](O)[C@H]5O)c4n3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 1/20 0.41
CA12 O43570 15/20 0.38
CA1 P00915 15/20 0.38
CA2 P00918 15/20 0.38
CA4 P22748 15/20 0.38
CA7 P43166 15/20 0.38
CA9 Q16790 15/20 0.38
TRPV1 Q8NER1 2/20 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
SCHEMBL2808518 1.00 ADORA2A (0.41) ADORA2AADORA3ADORA1CA12CA1
SCHEMBL2805065 0.96 ADORA2A (0.46) ADORA2AADORA3ADORA1CA12CA1
SCHEMBL2805071 0.96 ADORA2A (0.46) ADORA2AADORA3ADORA1CA12CA1
SCHEMBL2805267 0.94 ADORA2A (0.41) ADORA2AADORA3ADORA1CA12CA1
SCHEMBL2805263 0.94 ADORA2A (0.41) ADORA2AADORA3ADORA1CA12CA1
Hydrochloric Acid SCHEMBL4669148 0.90 ADORA2A (0.52) ADORA2AADORA3ADORA1CA12CA1
Hydrochloric Acid SCHEMBL590646 0.90 ADORA2A (0.52) ADORA2AADORA3ADORA1CA12CA1
Hydrochloric Acid SCHEMBL4669147 0.90 ADORA2A (0.52) ADORA2AADORA3ADORA1CA12CA1
Hydrochloric Acid SCHEMBL590645 0.90 ADORA2A (0.52) ADORA2AADORA3ADORA1CA12CA1
SCHEMBL2811606 0.90 ADORA2A (0.45) ADORA2AADORA3ADORA1CA12CA1

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.