SCHEMBL13296249

SCHEMBL13296249

C[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@@H](O)C1O

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.74
NT5E P21589 2/20 0.57
DNMT1 P26358 1/20 0.56
LMNA P02545 1/20 0.52
HIF1A Q16665 1/20 0.52
ADORA2A P29274 3/20 0.52
ADORA2B P29275 3/20 0.52
ADK P55263 2/20 0.51

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
SCHEMBL3427635 1.00 ADORA3 (0.74) ADORA3NT5EDNMT1LMNAHIF1A
SCHEMBL19837851 1.00 ADORA3 (0.74) ADORA3NT5EDNMT1LMNAHIF1A
SCHEMBL12912354 1.00 ADORA3 (0.74) ADORA3NT5EDNMT1LMNAHIF1A
SCHEMBL4452551 0.87 ADORA3 (0.77) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL19843948 0.87 ADORA3 (0.77) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL4452559 0.87 ADORA3 (0.77) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL13769821 0.86 ADORA3 (0.76) ADORA3NT5EDNMT1LMNAHIF1A
SCHEMBL14364574 0.86 ADORA3 (0.58) ADORA3ADORA2AADK
SCHEMBL12359596 0.86 ADORA3 (0.58) ADORA3ADORA2AADK
SCHEMBL14072684 0.86 ADORA3 (0.58) ADORA3ADORA2AADK

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-7737127-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-15 US disclosed
US-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-04 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-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 ADORA3 2/4885NT5E 67/4885DNMT1 1634/4885

“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.