SCHEMBL2805244

SCHEMBL2805244

NS(=O)(=O)c1ccc(NC(=O)NC2CCN(c3nc(NCC(c4ccc(O)cc4)c4ccc(O)cc4)c4ncn([C@@H]5C[C@H](n6nnc(CO)n6)[C@@H](O)[C@H]5O)c4n3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 17/20 0.39
CA1 P00915 17/20 0.39
CA2 P00918 17/20 0.39
CA4 P22748 17/20 0.39
CA7 P43166 17/20 0.39
CA9 Q16790 17/20 0.39
ADORA2A P29274 3/20 0.37
TRPV1 Q8NER1 2/20 0.37
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL2805239 1.00 CA12 (0.39) CA12CA1CA2CA4CA7
SCHEMBL2809148 0.96 CA12 (0.42) CA12CA1CA2CA4CA7
SCHEMBL2809156 0.96 CA12 (0.42) CA12CA1CA2CA4CA7
SCHEMBL2809306 0.94 CA12 (0.41) CA12CA1CA2CA4CA7
SCHEMBL2809300 0.94 CA12 (0.41) CA12CA1CA2CA4CA7
Hydrochloric Acid SCHEMBL589577 0.91 CA12 (0.41) CA12CA1CA2CA4CA7
Hydrochloric Acid SCHEMBL589576 0.91 CA12 (0.41) CA12CA1CA2CA4CA7
SCHEMBL2807457 0.91 CA12 (0.38) CA12CA1CA2CA4CA7
SCHEMBL2807461 0.91 CA12 (0.38) CA12CA1CA2CA4CA7
SCHEMBL2804846 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 5 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
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
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.