SCHEMBL937575

SCHEMBL937575

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.63
ADORA1 P30542 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ADORA3 P0DMS8 2/20 0.61
ADORA2A P29274 2/20 0.61
ADORA2B P29275 2/20 0.61
DPP4 P27487 1/20 0.61
MEN1 O00255 1/20 0.61
SLC28A1 O00337 1/20 0.61
MAP3K7 O43318 1/20 0.61
SLC28A2 O43868 1/20 0.61
GAPDH P04406 1/20 0.61
MAPK1 P28482 1/20 0.61
STAT6 P42226 1/20 0.61
PI4KA P42356 1/20 0.61
KMT2A Q03164 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
DOT1L Q8TEK3 1/20 0.61
SLC29A1 Q99808 1/20 0.61
PI4K2A Q9BTU6 1/20 0.61

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
SCHEMBL6569310 0.89 ADORA1 (0.73) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL939593 0.84 ADORA1 (0.71) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL8708990 0.84 ADORA1 (0.71) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL4944751 0.83 AHCY (0.69) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL1934658 0.83 AHCY (0.72) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL4650247 0.82 IARS1 (0.69) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL926920 0.82 P2RY1 (0.68) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL5327610 0.82 P2RY1 (0.68) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL1723484 0.81 P2RY1 (0.70) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL481524 0.81 ADORA1 (0.76) AHCYADORA1SMN1; SMN2ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 AHCY 389/4885ADORA1 55/4885SMN1; SMN2 4044/4885
US-20110136755-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 AHCY 1319/4885ADORA1 3/4885SMN1; SMN2 2696/4885
US-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 AHCY 921/4885ADORA1 2/4885SMN1; SMN2 3971/4885

“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.