SCHEMBL10089232

SCHEMBL10089232

CNC(=O)c1ccn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)C(O)C4O)c3n2)n1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.71
ADORA3 P0DMS8 2/20 0.71
ADORA2B P29275 2/20 0.71
ADORA1 P30542 1/20 0.71
ADRA1A P35348 1/20 0.71
LMNA P02545 1/20 0.55
NT5E P21589 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL10089217 1.00 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL12411345 1.00 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL14256084 0.91 ADORA3 (0.58) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL12153356 0.90 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1ADRA1A
Regadenoson Anhydrous SCHEMBL12958830 0.83 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1ADRA1A
Regadenoson Anhydrous SCHEMBL14131217 0.83 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1ADRA1A
Regadenoson Anhydrous SCHEMBL13462149 0.83 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1ADRA1A
Regadenoson Anhydrous SCHEMBL21710782 0.83 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1ADRA1A
Regadenoson Anhydrous SCHEMBL8925057 0.83 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1ADRA1A
Regadenoson Anhydrous SCHEMBL6745611 0.83 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2008124150-A1 METHOD OF TREATING ENTERITIS, INTESTINAL DAMAGE, AND DIARRHEA FROM C. DIFFICILE WITH AN A2A ADENOSINE RECEPTOR AGONIST UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-10-16 WO disclosed
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-01-31 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

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-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE PDE4A, ADORA2A, PDE4B ADORA2A 2/4885ADORA3 13/4885ADORA2B 11/4885
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 2/4885ADORA2B 3/4885
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS ADORA2A, ADORA2B, PDE4A ADORA2A 1/4885ADORA3 4/4885ADORA2B 2/4885
US-20110166094-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATING RECURRENT TUMOR GROWTH ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885
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 2/4885ADORA2B 4/4885
US-20090181920-A1 INTRATHECAL TREATMENT OF NEUROPATHIC PAIN WITH A2AR AGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885

“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.