SCHEMBL2113158

SCHEMBL2113158

CC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.78
ADORA2B P29275 4/20 0.78
ADORA3 P0DMS8 3/20 0.75
ADORA1 P30542 2/20 0.75

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
SCHEMBL8933304 1.00 ADORA2A (0.78) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6939161 0.90 ADORA2A (0.85) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7762507 0.90 ADORA2A (0.85) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5733877 0.89 ADORA2A (0.81) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5733892 0.89 ADORA2A (0.81) ADORA2AADORA2BADORA3ADORA1
SCHEMBL18677240 0.88 ADORA2A (0.80) ADORA2AADORA2BADORA3ADORA1
SCHEMBL18674322 0.88 ADORA2A (0.80) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5735375 0.88 ADORA2A (0.73) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5734994 0.88 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5735705 0.88 ADORA2A (0.79) ADORA2AADORA2BADORA3ADORA1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024182811-A1 COMPOSITIONS AND METHODS FOR TREATING UTERINE LEIOMYOMAS UNIVERSITY OF SOUTH FLORIDA (US) 2024-09-06 WO claimed
US-20230118877-A1 ADENOSINE A2A AGONISTS FOR THE TREATMENT OF CYTOKINE STORM SYNDROME UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-04-20 US claimed
US-12115182-B2 Adenosine A2A agonists for the treatment of cytokine storm syndrome UNIVERSITY OF MARYLAND BALTIMORE (US) 2024-10-15 US disclosed
WO-2024182811-A1 COMPOSITIONS AND METHODS FOR TREATING UTERINE LEIOMYOMAS UNIVERSITY OF SOUTH FLORIDA (US) 2024-09-06 WO disclosed
US-20230118877-A1 ADENOSINE A2A AGONISTS FOR THE TREATMENT OF CYTOKINE STORM SYNDROME UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-04-20 US disclosed
CN-101068825-B Having a2A2-propynyl adenosine analogs with modified 5' -ribose groups for agonist activity Univ Virginia Patent Found 2013-05-08 CN disclosed
EP-2266994-B1 2-propynyl adenosine analgos with modified 5'-ribose groups having A2A agonist activity Univ Virginia Patent Found (US) 2013-04-03 EP disclosed
EP-1778712-B1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY Univ Virginia Patent Found (US) 2013-01-30 EP disclosed
US-8158604-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-04-17 US disclosed
US-7989431-B2 4-{3-[6-Amino-9-(5-cyclopropylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-prop-2-ynyl}-cyclohexanecarboxylic acid methyl ester; for inflammation, such as organ, tissue or cell transplantation, angioplasty (PCTA), inflammation following ischemia/reperfusion, or grafting UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-08-02 US disclosed
EP-2266994-A1 2-propynyl adenosine analgos with modified 5'-ribose groups having A2A agonist activity University Of Virginia Patent Foundation (US) 2010-12-29 EP disclosed
US-7737127-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-15 US disclosed
US-7605143-B2 2-propynyl adenosine analogs with modified 5′-ribose groups having A2A agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-10-20 US disclosed
CN-101068825-A Having a2A2-propynyl adenosine analogs with modified 5' -ribose groups for agonist activity UNIV VIRGINIA (US) 2007-11-07 CN disclosed
US-7214665-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-05-08 US disclosed
US-20060040888-A1 2-propynyl adenosine analogs with modifed 5'-ribose groups having A2A agonist activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-23 US disclosed
US-20030186926-A1 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-02 US 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 (2 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-20030186926-A1 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA2B 4/4885ADORA3 3/4885
US-20060040888-A1 2-propynyl adenosine analogs with modifed 5'-ribose groups having A2A agonist activity ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA2B 4/4885ADORA3 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.