SCHEMBL2805111

SCHEMBL2805111

O=C(NCc1cccc(O)c1)N[C@@H]1CCN(c2nc(NCC(c3ccc(O)cc3)c3ccc(O)cc3)c3ncn([C@@H]4O[C@H](c5nnn(CCO)n5)[C@@H](O)[C@H]4O)c3n2)C1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.46
ADORA3 P0DMS8 13/20 0.45
ADORA1 P30542 13/20 0.45
ADORA2B P29275 12/20 0.45

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
SCHEMBL11968388 1.00 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL11968389 1.00 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL2806489 1.00 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL2806491 1.00 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL2807610 0.97 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL2807606 0.97 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL2807616 0.97 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL2806547 0.95 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL2806546 0.95 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL12049797 0.95 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435966-B2 Associations of xanthogenates and cyclodextrins, and their use BIOSPHINGS AG (DE) 2013-05-07 US claimed
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-20100240606-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE BIOSPHINGS AG (DE) 2010-09-23 US claimed
EP-2001840-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE BioSphings AG (DE) 2008-12-17 EP claimed
WO-2007112828-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE BIOSPHINGS AG (DE) 2007-10-11 WO claimed
EP-3525886-B1 COMPOSITIONS COMPRISING A METAL SOURCE, DITHIOCARBAMATE AND CYCLODEXTRIN DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OEFFENTLICHEN RECHTS / UNIV HEIDELBERG (DE) 2022-02-23 EP disclosed
EP-3921647-A1 IMPROVED DITHIOCARMABATE BASED COMPOUNDS, THERAPIES AND DIAGNOSTICS Deutsches Krebsforschungszentrum - Stiftung des öffentlichen Rechts / Universität Heidelberg (DE) 2021-12-15 EP disclosed
CN-113474660-A Improved dithiocarbamate-based compounds, therapies and diagnostics 德国癌症研究公共权益基金会 2021-10-01 CN disclosed
US-10953099-B2 Compositions comprising a metal source, dithiocarbamate and cyclodextrin Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2021-03-23 US disclosed
WO-2020161337-A1 IMPROVED DITHIOCARMABATE BASED COMPOUNDS, THERAPIES AND DIAGNOSTICS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2020-08-13 WO disclosed
EP-3693740-A1 IMPROVED DITHIOCARMABATE BASED COMPOUNDS, THERAPIES AND DIAGNOSTICS Deutsches Krebsforschungszentrum, Stiftung des öffentlichen Rechts (DE) 2020-08-12 EP disclosed
US-20190328886-A1 COMPOSITIONS COMPRISING A METAL SOURCE, DITHIOCARBAMATE AND CYCLODEXTRIN Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2019-10-31 US disclosed
US-20100240606-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE BIOSPHINGS AG (DE) 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
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2001840-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE BioSphings AG (DE) 2008-12-17 EP disclosed
EP-1889846-A1 Purine derivatives as A2a agonists Novartis AG (CH) 2008-02-20 EP disclosed
WO-2007112828-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE BIOSPHINGS AG (DE) 2007-10-11 WO 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 (4 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-10953099-B2 Compositions comprising a metal source, dithiocarbamate and cyclodextrin PDIA5, SLC30A5, SLC30A6 ADORA2A 2680/4885ADORA3 1872/4885ADORA1 1601/4885
US-20190328886-A1 COMPOSITIONS COMPRISING A METAL SOURCE, DITHIOCARBAMATE AND CYCLODEXTRIN PDIA5, SLC30A5, SLC30A6 ADORA2A 2680/4885ADORA3 1872/4885ADORA1 1601/4885
US-20100240680-A1 Purine derivatives as a2a agonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885
US-20100240606-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE HLA-DRB1, CXCR3, ANTXR2 ADORA2A 1652/4885ADORA3 649/4885ADORA1 331/4885

“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.