SCHEMBL13992685

SCHEMBL13992685

CCNc1nc(C)c2ncn([C@@H]3O[C@H](C)[C@H](O)C3O)c2n1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 8/20 0.53
▸ ADORA1 P30542 6/20 0.50
▸ ADORA2A P29274 6/20 0.50
▸ ADORA2B P29275 4/20 0.46
▸ SLC29A1 Q99808 1/20 0.46
▸ HSP90B1 P14625 1/20 0.44

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
SCHEMBL13788578 1.00 ADORA3 (0.53) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL10089198 0.82 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL8922587 0.82 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL14256082 0.81 ADORA3 (0.50) ADORA3ADORA1ADORA2A
SCHEMBL12359596 0.80 ADORA3 (0.58) ADORA3ADORA1ADORA2A
SCHEMBL14072684 0.80 ADORA3 (0.58) ADORA3ADORA1ADORA2A
SCHEMBL14264202 0.80 ADORA3 (0.76) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL14364574 0.80 ADORA3 (0.58) ADORA3ADORA1ADORA2A
SCHEMBL19837856 0.77 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2778569 0.76 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 3/4885ADORA1 4/4885ADORA2A 1/4885
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 ADORA3 2/4885ADORA1 4/4885ADORA2A 1/4885
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS ADORA2A, ADORA2B, PDE4A ADORA3 4/4885ADORA1 10/4885ADORA2A 1/4885
US-20080312160-A1 METHOD OF TREATING ENTERITIS, INTESTINAL DAMAGE, AND DIARRHEA FROM C. DIFFICILE WITH AN A2A ADENOSINE RECEPTOR AGONIST ADORA2A, ADORA3, GLUL ADORA3 2/4885ADORA1 6/4885ADORA2A 1/4885

“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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