SCHEMBL2113154

SCHEMBL2113154

C#CCOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.70
ADORA1 P30542 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
ADORA3 P0DMS8 2/20 0.67
ADORA2A P29274 2/20 0.67
ADORA2B P29275 2/20 0.67
DPP4 P27487 1/20 0.67
MEN1 O00255 1/20 0.67
SLC28A1 O00337 1/20 0.67
MAP3K7 O43318 1/20 0.67
SLC28A2 O43868 1/20 0.67
GAPDH P04406 1/20 0.67
MAPK1 P28482 1/20 0.67
STAT6 P42226 1/20 0.67
PI4KA P42356 1/20 0.67
KMT2A Q03164 1/20 0.67
PI4K2B Q8TCG2 1/20 0.67
DOT1L Q8TEK3 1/20 0.67
SLC29A1 Q99808 1/20 0.67
PI4K2A Q9BTU6 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
SCHEMBL10304700 1.00 AHCY (0.70) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL18862676 1.00 AHCY (0.70) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL8328542 0.88 ADORA1 (0.74) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL15371596 0.87 AHCY (0.72) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL2057039 0.87 AHCY (0.72) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL15798541 0.87 AHCY (0.72) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL873362 0.86 ADORA3 (0.72) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL3698839 0.86 ADORA3 (0.72) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL20419303 0.86 AHCY (0.77) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL9339774 0.85 EHMT1 (0.63) 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 18 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
WO-1995018139-A1 SYNTHESIS OF PROPARGYL MODIFIED NUCLEOSIDES AND PHOSPHORAMIDITES AND THEIR INCORPORATION INTO DEFINED SEQUENCE OLIGONUCLEOTIDES CHEMGENES CORPORATION (US) 1995-07-06 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 (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 AHCY 1266/4885ADORA1 2/4885SMN1; SMN2 3514/4885
US-20060040888-A1 2-propynyl adenosine analogs with modifed 5'-ribose groups having A2A agonist activity ADORA2A, ADORA3, ADORA1 AHCY 1970/4885ADORA1 3/4885SMN1; SMN2 1955/4885

“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.