SCHEMBL2809039

SCHEMBL2809039

O=C(Nc1cccnc1)NC1CCN(c2nc(N[C@H](CO)Cc3ccccc3)c3ncn([C@@H]4C[C@H](n5cc(CO)cn5)[C@@H](O)[C@H]4O)c3n2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.49
ADORA3 P0DMS8 6/20 0.49
ADORA1 P30542 5/20 0.37
EPHX2 P34913 1/20 0.34
EGFR P00533 2/20 0.34
CDK1 P06493 1/20 0.33
CDK5 Q00535 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
SCHEMBL11968402 1.00 ADORA2A (0.49) ADORA2AADORA3ADORA1EPHX2EGFR
SCHEMBL2809032 1.00 ADORA2A (0.49) ADORA2AADORA3ADORA1EPHX2EGFR
SCHEMBL2804836 0.89 ADORA2A (0.49) ADORA2AADORA3ADORA1
SCHEMBL2804839 0.89 ADORA2A (0.49) ADORA2AADORA3ADORA1
SCHEMBL2805206 0.89 ADORA2A (0.41) ADORA2AADORA3ADORA1EPHX2EGFR
SCHEMBL2805211 0.89 ADORA2A (0.41) ADORA2AADORA3ADORA1EPHX2EGFR
SCHEMBL2806351 0.89 ADORA2A (0.47) ADORA2AADORA3ADORA1
SCHEMBL2806358 0.89 ADORA2A (0.47) ADORA2AADORA3ADORA1
SCHEMBL2804958 0.89 ADORA2A (0.48) ADORA2AADORA3ADORA1
SCHEMBL2804953 0.89 ADORA2A (0.48) ADORA2AADORA3ADORA1

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 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.