SCHEMBL8924354

SCHEMBL8924354

Nc1nc(C#CCC2CCN(C(=O)OCc3ccccc3)CC2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@H](O)C1O

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.80
▸ ADORA3 P0DMS8 6/20 0.58
▸ ADORA1 P30542 6/20 0.58
▸ PRMT5 O14744 1/20 0.53
▸ METTL3 Q86U44 1/20 0.53
▸ WDR77 Q9BQA1 1/20 0.53
▸ ADORA2B P29275 3/20 0.52

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
SCHEMBL10089195 1.00 ADORA2A (0.80) ADORA2AADORA3ADORA1PRMT5METTL3
SCHEMBL10456342 0.95 ADORA2A (0.80) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL14367724 0.95 ADORA2A (0.80) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL10455994 0.94 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL13612127 0.94 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL12547192 0.94 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL13020932 0.94 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8922576 0.94 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL10456127 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL13612217 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA1ADORA2B

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-20130123208-A1 METHOD OF TREATING MULTIPLE SCLEROSIS WITH ADENOSINE RECEPTOR AGONISTS The Regents of the University of Colorado, a body corporation (US) 2013-05-16 — — 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-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-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-11-12 — — 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-20090253647-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION AND ADENOSINE THERAPEUTICS, L.L.C. 2009-10-08 — — US disclosed
US-20090181920-A1 INTRATHECAL TREATMENT OF NEUROPATHIC PAIN WITH A2AR AGONISTS PGXHEALTH, LLC (US) 2009-07-16 — — US disclosed
US-20080312160-A1 METHOD OF TREATING ENTERITIS, INTESTINAL DAMAGE, AND DIARRHEA FROM C. DIFFICILE WITH AN A2A ADENOSINE RECEPTOR AGONIST UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-12-18 — — US disclosed
US-20080262001-A1 a 4-{3-[6-amino-9-(5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-prop-2-ynyl}-piperidine-1-carboxylic acid ester ADENOSINE THERAPEUTICS, LLC (US) 2008-10-23 — — 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-20080064653-A1 USE OF ADENOSINE A2A MODULATORS TO TREAT SPINAL CORD INJURY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-03-13 — — US disclosed
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-01-31 — — 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 (8 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-20130123208-A1 METHOD OF TREATING MULTIPLE SCLEROSIS WITH ADENOSINE RECEPTOR AGONISTS ADORA3, ADORA2A, ADORA2B ADORA2A 2/4885ADORA3 1/4885ADORA1 4/4885
US-20080064653-A1 USE OF ADENOSINE A2A MODULATORS TO TREAT SPINAL CORD INJURY ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 4/4885
US-20080262001-A1 a 4-{3-[6-amino-9-(5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-prop-2-ynyl}-piperidine-1-carboxylic acid ester ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA3 2/4885ADORA1 4/4885
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS ADORA2A, ADORA2B, PDE4A ADORA2A 1/4885ADORA3 4/4885ADORA1 10/4885
US-20090253647-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA1 3/4885
US-20080312160-A1 METHOD OF TREATING ENTERITIS, INTESTINAL DAMAGE, AND DIARRHEA FROM C. DIFFICILE WITH AN A2A ADENOSINE RECEPTOR AGONIST ADORA2A, ADORA3, GLUL ADORA2A 1/4885ADORA3 2/4885ADORA1 6/4885
US-20090181920-A1 INTRATHECAL TREATMENT OF NEUROPATHIC PAIN WITH A2AR AGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA1 3/4885
US-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885

“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