SCHEMBL10089195

SCHEMBL10089195

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

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
SCHEMBL8924354 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213541-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATING RECURRENT TUMOR GROWTH ADENOSINE THERAPEUTICS, LLC (US) 2014-07-31 — — US disclosed
US-8551972-B2 Agonists of A2A adenosine receptors for treating recurrent tumor growth ADENOSINE THERAPEUTICS, LLC (US) 2013-10-08 — — US disclosed
US-8222228-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-07-17 — — US disclosed
US-8178509-B2 Method to treat sickle cell disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 — — US disclosed
US-20110166094-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATING RECURRENT TUMOR GROWTH PGXHEALTH, L.L.C. (US) 2011-07-07 — — US disclosed
US-20110136755-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-09 — — US disclosed
US-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2011-04-21 — — US disclosed
US-7888329-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGXHEALTH, LLC (US) 2011-02-15 — — US disclosed
US-7589076-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGX HEALTH, LLC (US) 2009-09-15 — — US disclosed
US-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-10 — — US disclosed
US-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADENOSINE THERAPEUTICS, LLC 2007-11-22 — — 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 (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-20140213541-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATING RECURRENT TUMOR GROWTH ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA1 3/4885
US-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE PDE4A, ADORA2A, PDE4B ADORA2A 2/4885ADORA3 13/4885ADORA1 18/4885
US-20110136755-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-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885
US-20110166094-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATING RECURRENT TUMOR GROWTH ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA1 3/4885
US-20070270373-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.

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