SCHEMBL2749577

SCHEMBL2749577

Nc1nc(I)nc2c1ncn2C1OC(C(=O)O)C(O)C1O

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 2/20 0.69
▸ HIF1A Q16665 1/20 0.69
▸ TMEM97 Q5BJF2 1/20 0.69
▸ SIGMAR1 Q99720 1/20 0.69
▸ ADORA3 P0DMS8 9/20 0.62
▸ DNMT1 P26358 1/20 0.61
▸ HSP90B1 P14625 2/20 0.57
▸ ADORA2A P29274 5/20 0.57
▸ ADORA2B P29275 3/20 0.57
▸ NT5E P21589 1/20 0.56
▸ ADORA1 P30542 3/20 0.55
▸ HASPIN Q8TF76 1/20 0.54

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
SCHEMBL2115373 1.00 AHCY (0.69) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL14532997 1.00 AHCY (0.69) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL13777726 1.00 AHCY (0.69) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL13296262 1.00 AHCY (0.69) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL10459063 0.91 ADORA2A (0.69) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL15462103 0.87 ADORA3 (0.77) AHCYADORA3HSP90B1ADORA2AADORA2B
SCHEMBL19423461 0.87 ADORA3 (0.77) AHCYADORA3HSP90B1ADORA2AADORA2B
SCHEMBL12359604 0.86 ADORA2A (0.57) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL30712751 0.86 AHCY (0.69) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL9404167 0.86 AHCY (0.69) AHCYHIF1ATMEM97SIGMAR1ADORA3

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-8222228-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-07-17 — — US disclosed
US-8188063-B2 A2A receptor agonists for the central nervous system; antiinflammatory agents; 2,7-disubstituted-5-amino-pyrazolo[4,3-e]-[1,2,4]-triazolo[1,5-c]pyrimidines, mefloquine, 8-(3-chlorostyryl)caffeine, 3,7,8-trisubstituted-1-propargyl-xanthines; 2,5-disubstituted-7-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazines UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-29 — — US disclosed
US-8178509-B2 Method to treat sickle cell disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 — — US 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-7671191-B2 Methods for preparing 2-alkynyladenosine derivatives PGX HEALTH, LLC (US) 2010-03-02 — — 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
US-20080177055-A1 Methods for preparing 2-alkynyladenosine deriviatives ADENOSINE THERAPEUTICS, LLC 2008-07-24 — — US disclosed
US-7378400-B2 Method to reduce an inflammatory response from arthritis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-27 — — US disclosed
US-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-04 — — US 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-20060100169-A1 Method to reduce an inflammatory response from arthritis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-05-11 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20060100169-A1 Method to reduce an inflammatory response from arthritis PDE4A, PDE4B, PDE7A AHCY 344/4885HIF1A 1125/4885TMEM97 4153/4885
US-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 AHCY 887/4885HIF1A 1685/4885TMEM97 477/4885
US-20080177055-A1 Methods for preparing 2-alkynyladenosine deriviatives ADORA2A, ADORA3, ADORA1 AHCY 116/4885HIF1A 2759/4885TMEM97 2809/4885
US-20060040888-A1 2-propynyl adenosine analogs with modifed 5'-ribose groups having A2A agonist activity ADORA2A, ADORA3, ADORA1 AHCY 1970/4885HIF1A 2528/4885TMEM97 672/4885

“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.

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