SCHEMBL2115373

SCHEMBL2115373

Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H]1O

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
SCHEMBL14532997 1.00 AHCY (0.69) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL13777726 1.00 AHCY (0.69) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL2749577 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-17 — — 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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 — — US disclosed
EP-1496911-B1 USE OF A COMBINATION COMPRISING A2A ADENOSINE RECEPTOR AGONISTS AND ANTI-PATHOGENIC AGENTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIV VIRGINIA (US) 2007-12-19 — — EP disclosed
US-20070265440-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY RESPONSE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-11-15 — — 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-7226913-B2 Pharmaceutical compositions having A2A adenosine receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-06-05 — — 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
EP-1194440-B1 INDUCTION OF PHARMACOLOGICAL STRESS WITH ADENOSINE RECEPTOR AGONISTS UNIV VIRGINIA (US) 2005-02-16 — — EP disclosed
US-20030162742-A1 Methods and compositions for treating inflammatory response UNIVERSITY OF VIRGINIA PATENT FOUNDATION, UNIVERSITY OF VIRGINIA. 2003-08-28 — — US disclosed
WO-2003029264-A2 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-04-10 — — WO disclosed
US-6531457-B2 A2A adenosine receptor antagonists such as methyl-4-(3-(9-(5-(N-ethylcarbamoyl)-3,4-dihydrooxolan-2-yl)-6-aminopurin-2 -yl))prop-2-ynyl)cyclohexane-carboxylate UNIVERSITY OF VIRGINIA 2003-03-11 — — US disclosed
EP-1194440-A2 INDUCTION OF PHARMACOLOGICAL STRESS WITH ADENOSINE RECEPTOR AGONISTS THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2002-04-10 — — 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-2000044763-A2 COMPOSITIONS FOR TREATING INFLAMMATORY RESPONSE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-08-03 — — 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 (6 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-20070265440-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY RESPONSE ADORA2A, ADORA2B, LTB4R2 AHCY 288/4885HIF1A 666/4885TMEM97 2436/4885
US-20030162742-A1 Methods and compositions for treating inflammatory response ADORA2A, P2RY2, LTB4R2 AHCY 303/4885HIF1A 546/4885TMEM97 1673/4885
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B AHCY 1348/4885HIF1A 1116/4885TMEM97 1388/4885
US-20010027185-A1 Methods and compositions for treating inflammatory response LTB4R2, ADORA2A, PTGES2 AHCY 389/4885HIF1A 312/4885TMEM97 2664/4885
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-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 AHCY 887/4885HIF1A 1685/4885TMEM97 477/4885

“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.

Send feedback