SCHEMBL13596809

SCHEMBL13596809

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CN=[N+]=[N-])O[C@H]2n1cnc2c(NC3CCOC3)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.56
ADORA3 P0DMS8 5/20 0.56
ADORA2B P29275 3/20 0.56
ADORA2A P29274 3/20 0.56
SLC28A1 O00337 1/20 0.56
SLC29A1 Q99808 1/20 0.56

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
SCHEMBL13384995 0.87 ADORA1 (0.61) ADORA1ADORA3ADORA2BADORA2ASLC28A1
SCHEMBL13384988 0.87 ADORA1 (0.71) ADORA1ADORA3ADORA2BADORA2ASLC28A1
SCHEMBL5993960 0.82 ADORA3 (0.64) ADORA1ADORA3ADORA2BADORA2ASLC28A1
SCHEMBL13384990 0.82 ADORA1 (0.57) ADORA1ADORA3ADORA2BADORA2ASLC28A1
SCHEMBL7733889 0.81 PI4KA (0.64) ADORA1ADORA3ADORA2BADORA2ASLC28A1
SCHEMBL23120337 0.81 PI4KA (0.52) ADORA1ADORA3
SCHEMBL31756634 0.81 PI4KA (0.52) ADORA1ADORA3SLC29A1
SCHEMBL26806440 0.81 PI4KA (0.52) ADORA1ADORA3SLC29A1
SCHEMBL5502447 0.80 ADORA1 (0.54) ADORA1ADORA3ADORA2BADORA2ASLC28A1
SCHEMBL5505653 0.80 ADORA1 (0.54) ADORA1ADORA3ADORA2BADORA2ASLC28A1

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-7696181-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2010-04-13 US disclosed
US-7696181-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2010-04-13 US disclosed
US-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS IBRAHIM PRABHA 2009-12-31 US disclosed
US-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS IBRAHIM PRABHA 2009-12-31 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 (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-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA3 3/4885ADORA2B 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.