SCHEMBL12359685

SCHEMBL12359685

CCC1CCC(O)(C#Cc2nc(N)c3ncn(C4O[C@H](C(=O)NC5CC5)[C@H](O)[C@@H]4O)c3n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.64
▸ ADORA3 P0DMS8 3/20 0.58
▸ ADORA2B P29275 3/20 0.58
▸ ADORA1 P30542 3/20 0.58

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
SCHEMBL12359687 0.94 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1
SCHEMBL3423490 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2112451 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL13296312 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL3478701 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL12359683 0.92 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1
SCHEMBL12359681 0.91 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
SCHEMBL12359684 0.91 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
SCHEMBL12359689 0.90 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6681322 0.90 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1

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 2 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090253647-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY 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.

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