SCHEMBL13657201

SCHEMBL13657201

CCOC(=O)C1CCC(CC#Cc2nc(N)c3ncn(CO[C@H](C(=O)NC4CC4)C(O)CO)c3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ ADORA2B P29275 1/20 0.32

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
SCHEMBL13645795 0.94 ADORA2A (0.50) ADORA2AADORA3ADORA1
SCHEMBL12374826 0.94 ADORA2A (0.50) ADORA2AADORA3ADORA1
SCHEMBL12373553 0.93 ADORA2A (0.43) ADORA2AADORA3ADORA1
SCHEMBL12375004 0.92 ADORA2A (0.44) ADORA2AADORA3ADORA1
SCHEMBL13657170 0.90 ADORA2A (0.51) ADORA2AADORA3ADORA1
SCHEMBL12375005 0.89 ADORA2A (0.43) ADORA2AADORA3ADORA1
SCHEMBL13645791 0.86 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL13777734 0.85 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL12373543 0.85 ADORA2A (0.50) ADORA2AADORA3ADORA1
SCHEMBL13657205 0.85 ADORA2A (0.50) ADORA2AADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885ADORA1 3/4885

“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.

Send feedback