SCHEMBL926262

SCHEMBL926262

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.68
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
SCHEMBL7619135 0.89 ADORA1 (0.64) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL11443305 0.87 AHCY (0.70) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL15798541 0.87 AHCY (0.72) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL2057039 0.87 AHCY (0.72) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL15371596 0.87 AHCY (0.72) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL15926827 0.86 ADORA1 (0.74) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL15788449 0.86 ADORA1 (0.74) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL15338536 0.86 ADORA1 (0.74) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL384075 0.86 ADORA1 (0.74) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL41361 0.86 ADORA1 (0.74) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090298788-A1 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION AND ADENOSINE THERAPEUTICS, L.L.C. 2009-12-03 US disclosed
US-20090298788-A1 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION AND ADENOSINE THERAPEUTICS, L.L.C. 2009-12-03 US disclosed
US-7576069-B2 2-polycyclic propynyl adenosine analogs having A2A agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-08-18 US disclosed
US-7442687-B2 2-polycyclic propynyl adenosine analogs having A2A agonist activity THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-10-28 US disclosed
US-20060217343-A1 2-Polycyclic propynyl adenosine analogs having A2A agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2006-09-28 US disclosed
US-20060217343-A1 2-Polycyclic propynyl adenosine analogs having A2A agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2006-09-28 US disclosed
WO-2006028618-A1 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-03-16 WO disclosed
WO-2006028618-A1 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-03-16 WO disclosed
WO-2006023272-A1 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-03-02 WO disclosed
WO-2006023272-A1 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-03-02 WO disclosed
US-20060040889-A1 2-polycyclic propynyl adenosine analogs having A2A agonist activity ADENOSINE THERAPEUTICS, L.L.C 2006-02-23 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-20060217343-A1 2-Polycyclic propynyl adenosine analogs having A2A agonist activity ADORA2A, ADORA3, ADORA1 AHCY 1671/4885ADORA1 3/4885SMN1; SMN2 3730/4885
US-20090298788-A1 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 AHCY 1671/4885ADORA1 3/4885SMN1; SMN2 3730/4885
US-20060040889-A1 2-polycyclic propynyl adenosine analogs having A2A agonist activity ADORA2A, ADORA3, ADORA1 AHCY 1671/4885ADORA1 3/4885SMN1; SMN2 3730/4885

“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.