SCHEMBL12359596

SCHEMBL12359596

Cc1nc(I)nc2c1ncn2[C@@H]1O[C@H](C)[C@H](O)C1O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.58
ADORA2A P29274 4/20 0.50
ADORA1 P30542 4/20 0.50
ADK P55263 3/20 0.44
CYP2C19 P33261 1/20 0.43

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
SCHEMBL14364574 1.00 ADORA3 (0.58) ADORA3ADORA2AADORA1ADKCYP2C19
SCHEMBL14072684 1.00 ADORA3 (0.58) ADORA3ADORA2AADORA1ADKCYP2C19
SCHEMBL8922587 0.87 ADORA3 (0.60) ADORA3ADORA2AADORA1ADKCYP2C19
SCHEMBL10089198 0.87 ADORA3 (0.60) ADORA3ADORA2AADORA1ADKCYP2C19
SCHEMBL3427635 0.86 ADORA3 (0.74) ADORA3ADORA2AADK
SCHEMBL12912354 0.86 ADORA3 (0.74) ADORA3ADORA2AADK
SCHEMBL19837851 0.86 ADORA3 (0.74) ADORA3ADORA2AADK
SCHEMBL13296249 0.86 ADORA3 (0.74) ADORA3ADORA2AADK
SCHEMBL14264202 0.85 ADORA3 (0.76) ADORA3ADORA2AADORA1ADK
SCHEMBL18172262 0.84 ADORA3 (0.55) ADORA3ADORA2AADORA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-7576069-B2 2-polycyclic propynyl adenosine analogs having A2A agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-08-18 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 (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-20080064653-A1 USE OF ADENOSINE A2A MODULATORS TO TREAT SPINAL CORD INJURY ADORA2A, ADORA2B, ADORA3 ADORA3 3/4885ADORA2A 1/4885ADORA1 4/4885
US-20090298788-A1 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885ADORA1 3/4885
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS ADORA2A, ADORA2B, PDE4A ADORA3 4/4885ADORA2A 1/4885ADORA1 10/4885
US-20090253647-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885ADORA1 3/4885

“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.