SCHEMBL2807425

SCHEMBL2807425

O=C(Nc1cccnc1)N[C@@H]1CCN(c2nc(NCC(c3ccc(O)cc3)c3ccc(O)cc3)c3ncn([C@@H]4C[C@H](n5nnc(CO)n5)[C@@H](O)[C@H]4O)c3n2)C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.39
ADORA3 P0DMS8 6/20 0.36
ADORA1 P30542 1/20 0.35
EPHX2 P34913 1/20 0.33

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
SCHEMBL2807428 1.00 ADORA2A (0.39) ADORA2AADORA3ADORA1EPHX2
SCHEMBL590749 0.96 ADORA2A (0.39) ADORA2AADORA3ADORA1EPHX2
SCHEMBL590748 0.96 ADORA2A (0.39) ADORA2AADORA3ADORA1EPHX2
SCHEMBL2812110 0.96 ADORA2A (0.43) ADORA2AADORA3ADORA1
SCHEMBL11968391 0.96 ADORA2A (0.43) ADORA2AADORA3ADORA1
SCHEMBL2812113 0.96 ADORA2A (0.43) ADORA2AADORA3ADORA1
SCHEMBL589052 0.92 ADORA2A (0.42) ADORA2AADORA3ADORA1EPHX2
SCHEMBL4776979 0.92 ADORA2A (0.42) ADORA2AADORA3ADORA1EPHX2
SCHEMBL589051 0.92 ADORA2A (0.42) ADORA2AADORA3ADORA1EPHX2
Hydrochloric Acid SCHEMBL589441 0.92 ADORA2A (0.41) ADORA2AADORA3ADORA1EPHX2

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.