SCHEMBL2809051

SCHEMBL2809051

N[C@@H]1CCN(c2nc(NCC(c3ccc(O)cc3)c3ccc(O)cc3)c3ncn([C@@H]4C[C@H](NC(=O)OCc5ccccc5)[C@@H](O)[C@H]4O)c3n2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.48
ADORA3 P0DMS8 7/20 0.47
CCNE2 O96020 1/20 0.43
CCNA2 P20248 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
CDK1 P06493 1/20 0.41
CDK5 Q00535 1/20 0.41
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
NT5E P21589 1/20 0.38

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
SCHEMBL2809090 1.00 ADORA2A (0.48) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL241298 0.97 ADORA2A (0.51) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL241299 0.97 ADORA2A (0.51) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL242595 0.89 ADORA2A (0.55) ADORA2AADORA3CCNE2CCNA2CCNE1
Hydrochloric Acid SCHEMBL241391 0.89 ADORA2A (0.47) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL242596 0.89 ADORA2A (0.55) ADORA2AADORA3CCNE2CCNA2CCNE1
Hydrochloric Acid SCHEMBL241392 0.89 ADORA2A (0.47) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL242631 0.89 ADORA2A (0.49) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL242632 0.89 ADORA2A (0.49) ADORA2AADORA3CCNE2CCNA2CCNE1
Hydrochloric Acid SCHEMBL2883630 0.89 ADORA2A (0.55) ADORA2AADORA3CCNE2CCNA2CCNE1

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 4 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 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 1/4885ADORA3 3/4885CCNE2 1418/4885

“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.