SCHEMBL8932187

SCHEMBL8932187

CC(C)(C)COC(=O)N1CCC(Cc2nc(N)c3ncn(CO[C@H](C(=O)NC4CC4)C(O)CO)c3n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.35
▸ MAP4K4 O95819 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ VCP P55072 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ PDE3A Q14432 1/20 0.30

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
SCHEMBL8932177 0.91 ADORA2A (0.41) ADORA2AMAP4K4MEN1ALDH1A1LMNA
SCHEMBL13625892 0.88 GRIN2B (0.40) CYP3A4SMN1; SMN2
SCHEMBL13819323 0.87 ADORA2A (0.34) ADORA2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL8932185 0.86 GRIN2B (0.41) ADORA2AMEN1KMT2A
SCHEMBL13819328 0.86 ADORA2A (0.34) ADORA2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL12009975 0.86 ADORA2A (0.32) ADORA2A
SCHEMBL13625945 0.86 MGLL (0.33) ADORA2A
SCHEMBL14393604 0.86 MGLL (0.33) ADORA2A
SCHEMBL13819447 0.85 ADORA2A (0.34) ADORA2A
SCHEMBL12009924 0.85 ADORA2A (0.33) ADORA2AMEN1ALDH1A1LMNACYP3A4

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-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-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-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-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 (5 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 ADORA2A 1/4885MAP4K4 3516/4885MEN1 4726/4885
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 1/4885MAP4K4 3933/4885MEN1 2564/4885
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS ADORA2A, ADORA2B, PDE4A ADORA2A 1/4885MAP4K4 2063/4885MEN1 4189/4885
US-20090253647-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885MAP4K4 3370/4885MEN1 2350/4885
US-20080312160-A1 METHOD OF TREATING ENTERITIS, INTESTINAL DAMAGE, AND DIARRHEA FROM C. DIFFICILE WITH AN A2A ADENOSINE RECEPTOR AGONIST ADORA2A, ADORA3, GLUL ADORA2A 1/4885MAP4K4 4294/4885MEN1 4160/4885

“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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