SCHEMBL2807817

SCHEMBL2807817

NS(=O)(=O)c1ccc(NC(=O)NC2CCN(c3nc(NCC(c4ccccc4)c4ccccc4)c4ncn([C@@H]5C[C@H](N6C(=O)NC(CO)C6=O)[C@@H](O)[C@H]5O)c4n3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.43
CA12 O43570 11/20 0.42
CA1 P00915 11/20 0.42
CA2 P00918 11/20 0.42
CA4 P22748 11/20 0.42
CA7 P43166 11/20 0.42
CA9 Q16790 11/20 0.42
ADORA3 P0DMS8 4/20 0.40
ADORA1 P30542 1/20 0.40
TRPV1 Q8NER1 2/20 0.37

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
SCHEMBL2807801 1.00 ADORA2A (0.43) ADORA2ACA12CA1CA2CA4
SCHEMBL2807806 1.00 ADORA2A (0.43) ADORA2ACA12CA1CA2CA4
SCHEMBL2810505 0.96 ADORA2A (0.39) ADORA2ACA12CA1CA2CA4
SCHEMBL2810488 0.96 ADORA2A (0.39) ADORA2ACA12CA1CA2CA4
SCHEMBL2810523 0.96 ADORA2A (0.39) ADORA2ACA12CA1CA2CA4
SCHEMBL2809536 0.94 CA12 (0.44) ADORA2ACA12CA1CA2CA4
SCHEMBL2809531 0.94 CA12 (0.44) ADORA2ACA12CA1CA2CA4
SCHEMBL2809543 0.94 CA12 (0.44) ADORA2ACA12CA1CA2CA4
SCHEMBL2806943 0.93 CA12 (0.42) ADORA2ACA12CA1CA2CA4
SCHEMBL11968331 0.93 CA12 (0.42) ADORA2ACA12CA1CA2CA4

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 6 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-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 1/4885CA12 4759/4885CA1 4404/4885

“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.