SCHEMBL410309

SCHEMBL410309

CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 1.00
ADORA1 P30542 16/20 1.00
ADORA2B P29275 6/20 0.71
ADORA3 P0DMS8 1/20 0.67

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
SCHEMBL409997 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL410290 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL406128 0.81 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL406715 0.81 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4467979 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL716555 0.78 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4454079 0.78 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
Bromide SCHEMBL382081 0.77 ADORA2A (0.62) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4564695 0.76 ADORA2A (0.68) ADORA2AADORA1ADORA2BADORA3
SCHEMBL411463 0.76 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119053347-A Immune antigen specific IL-18 immunocytokine and uses thereof 明峰治疗股份公司 2024-11-29 CN claimed
US-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION 2023-09-14 US claimed
WO-2023039578-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION (US) 2023-03-16 WO claimed
US-20160002244-A1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2016-01-07 US claimed
EP-2408775-B1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA TAU IND FARMACEUTI (IT) 2015-06-17 EP claimed
US-20120053191-A1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS ALFASIGMA S.P.A. (IT) 2012-03-01 US claimed
EP-2408775-A1 OXIDATED DERIVATIVES OF TRIAZOLYPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-01-25 EP claimed
WO-2010106145-A1 OXIDATED DERIVATIVES OF TRIAZOLYPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-09-23 WO claimed
WO-2025224598-A1 HER2 TARGETING CYCLIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2025-10-30 WO disclosed
US-20250332300-A1 HER2 TARGETING CYCLIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2025-10-30 US disclosed
EP-4604957-A1 COMBINATIONS OF A SERD FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2025-08-27 EP disclosed
CN-120051280-A Combination of SERD for treating cancer 阿斯利康(瑞典)有限公司 2025-05-27 CN disclosed
WO-2024083716-A1 COMBINATIONS OF A SERD FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-04-25 WO disclosed
US-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION 2023-09-14 US disclosed
US-20160002244-A1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2016-01-07 US disclosed
US-9133197-B2 Oxidated derivatives of triazolylpurines useful as ligands of the adenosine A2A receptor and their use as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2015-09-15 US disclosed
EP-2408775-B1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA TAU IND FARMACEUTI (IT) 2015-06-17 EP disclosed
US-20120053191-A1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS ALFASIGMA S.P.A. (IT) 2012-03-01 US disclosed
EP-2408775-A1 OXIDATED DERIVATIVES OF TRIAZOLYPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-01-25 EP disclosed
WO-2010106145-A1 OXIDATED DERIVATIVES OF TRIAZOLYPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-09-23 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-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, CD4, MCL1 ADORA2A 1801/4885ADORA1 3168/4885ADORA2B 2902/4885
US-20120053191-A1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 4/4885
US-20250332300-A1 HER2 TARGETING CYCLIC PEPTIDES AND CONJUGATES THEREOF ERBB2, EGFR, ERBB3 ADORA2A 2229/4885ADORA1 3482/4885ADORA2B 3053/4885
US-20160002244-A1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 4/4885

“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.