SCHEMBL2807457

SCHEMBL2807457

NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3nc(NCC(c4ccc(O)cc4)c4ccc(O)cc4)c4ncn([C@@H]5C[C@H](n6ncc(CO)n6)[C@@H](O)[C@H]5O)c4n3)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 19/20 0.38
CA1 P00915 19/20 0.38
CA2 P00918 19/20 0.38
CA4 P22748 19/20 0.38
CA7 P43166 19/20 0.38
CA9 Q16790 19/20 0.38
TRPV1 Q8NER1 2/20 0.38
ADORA2A P29274 1/20 0.36

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
SCHEMBL2807461 1.00 CA12 (0.38) CA12CA1CA2CA4CA7
SCHEMBL11968424 0.96 CA12 (0.42) CA12CA1CA2CA4CA7
SCHEMBL2806241 0.96 CA12 (0.42) CA12CA1CA2CA4CA7
SCHEMBL2806236 0.96 CA12 (0.42) CA12CA1CA2CA4CA7
SCHEMBL2806410 0.94 CA12 (0.41) CA12CA1CA2CA4CA7
SCHEMBL2806411 0.94 CA12 (0.41) CA12CA1CA2CA4CA7
SCHEMBL2805244 0.91 CA12 (0.39) CA12CA1CA2CA4CA7
SCHEMBL2805239 0.91 CA12 (0.39) CA12CA1CA2CA4CA7
SCHEMBL2811380 0.90 CA12 (0.44) CA12CA1CA2CA4CA7
SCHEMBL2811384 0.90 CA12 (0.44) CA12CA1CA2CA4CA7

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 CA12 4759/4885CA1 4404/4885CA2 3416/4885

“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.