SCHEMBL937577

SCHEMBL937577

C=CCNN[C@@]1(n2cnc3c(N)ncnc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.47
ADORA2A P29274 3/20 0.47
SLC28A1 O00337 2/20 0.45
GMPS P49915 1/20 0.45
PI4KA P42356 2/20 0.44
PI4K2B Q8TCG2 2/20 0.44
PI4K2A Q9BTU6 2/20 0.44
PI4KB Q9UBF8 2/20 0.44
DPP4 P27487 1/20 0.44
MEN1 O00255 1/20 0.44
MAP3K7 O43318 1/20 0.44
SLC28A2 O43868 1/20 0.44
GAPDH P04406 1/20 0.44
MAPK1 P28482 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
STAT6 P42226 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DOT1L Q8TEK3 1/20 0.44

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
SCHEMBL6569314 0.89 ADORA3 (0.52) ADORA3ADORA2ASLC28A1GMPSPI4KA
SCHEMBL939590 0.84 ADORA3 (0.54) ADORA3ADORA2ASLC28A1GMPSPI4KA
SCHEMBL10441571 0.83 ADORA3 (0.50) ADORA3ADORA2ASLC28A1GMPSPI4KA
SCHEMBL940812 0.82 ADORA3 (0.45) ADORA3ADORA2ASLC28A1GMPSPI4KA
SCHEMBL28715703 0.82 ADORA3 (0.50) ADORA3ADORA2ASLC28A1GMPSPI4KA
SCHEMBL1723481 0.80 ADORA3 (0.47) ADORA3ADORA2ASLC28A1GMPSPI4KA
SCHEMBL4650244 0.79 ADORA3 (0.47) ADORA3ADORA2ASLC28A1GMPSPI4KA
SCHEMBL11516446 0.79 PI4KA (0.47) ADORA3ADORA2ASLC28A1GMPSPI4KA
SCHEMBL4944757 0.79 ADORA3 (0.53) ADORA3ADORA2ASLC28A1GMPSPI4KA
SCHEMBL29508945 0.79 ADORA3 (0.53) ADORA3ADORA2ASLC28A1GMPSPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8222228-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-07-17 US 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
US-20110136755-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-09 US disclosed
US-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2011-04-21 US disclosed
US-7888329-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGXHEALTH, LLC (US) 2011-02-15 US disclosed
US-7875595-B2 5-[6-Amino-2-(2-hydroxy-adamantan-2-ylethynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid cyclopropylamide for the treatment of inflammatory activity in mammalian tissue; A2A adenosine receptor agonist; autoimmune stimulation, allergic diseases, skin diseases, infectious diseases UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-01-25 US disclosed
US-6322771-B1 PARENTERALLY ADMINISTERING TO A MAMMAL A PURINE DERIVATIVE TO DIAGNOSE CORONARY ARTERY STENOSIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-11-27 US disclosed
EP-1150991-A2 COMPOSITIONS FOR TREATING INFLAMMATORY RESPONSE THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2001-11-07 EP disclosed
US-20010027185-A1 Methods and compositions for treating inflammatory response UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-10-04 US disclosed
US-6232297-B1 ADMINISTERING 4-AMINOPYRROLO(3,2-D)PYRIMIDINE DERIVATIVE AS ADENOSINE RECEPTOR ANTAGONIST UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-05-15 US disclosed
WO-2000078774-A2 INDUCTION OF PHARMACOLOGICAL STRESS WITH ADENOSINE RECEPTOR AGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-12-28 WO disclosed
WO-2000072799-A2 METHOD AND COMPOSITIONS FOR TREATING THE INFLAMMATORY RESPONSE THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-12-07 WO disclosed
EP-1044004-A1 A2A ADENOSINE RECEPTOR AGONISTS IN COMBINATION WITH A TYPE IV PHOSPHODIESTERASE INHIBITORS THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-10-18 EP disclosed
WO-2000044763-A2 COMPOSITIONS FOR TREATING INFLAMMATORY RESPONSE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-08-03 WO disclosed
WO-1999034804-A1 A2A ADENOSINE RECEPTOR AGONISTS THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 1999-07-15 WO disclosed
US-5877180-A Method for treating inflammatory diseases with A2a adenosine receptor agonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 1999-03-02 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 (3 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-20010027185-A1 Methods and compositions for treating inflammatory response LTB4R2, ADORA2A, PTGES2 ADORA3 74/4885ADORA2A 2/4885SLC28A1 2635/4885
US-20110136755-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885SLC28A1 542/4885
US-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 1/4885SLC28A1 320/4885

“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.