SCHEMBL6664072

SCHEMBL6664072

COCC1OC(n2cnc3c(N[C@@H]4CCC[C@H]4O)ncnc32)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.62
ADORA1 P30542 7/20 0.62
ADORA2A P29274 5/20 0.62
ADORA2B P29275 2/20 0.62
CYP2D6 P10635 1/20 0.62
PI4KA P42356 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6664080 1.00 ADORA3 (0.62) ADORA3ADORA1ADORA2AADORA2BCYP2D6
SCHEMBL15425667 0.91 ADORA2A (0.73) ADORA3ADORA1ADORA2AADORA2BCYP2D6
SCHEMBL9791716 0.91 ADORA2A (0.73) ADORA3ADORA1ADORA2AADORA2BCYP2D6
SCHEMBL10240316 0.91 ADORA2A (0.73) ADORA3ADORA1ADORA2AADORA2BCYP2D6
SCHEMBL15426678 0.91 ADORA2A (0.73) ADORA3ADORA1ADORA2AADORA2BCYP2D6
SCHEMBL15426676 0.87 ADORA1 (0.55) ADORA3ADORA1ADORA2AADORA2BCYP2D6
SCHEMBL15425654 0.87 ADORA1 (0.55) ADORA3ADORA1ADORA2AADORA2BCYP2D6
SCHEMBL6660666 0.86 ADORA3 (0.79) ADORA3ADORA1ADORA2AADORA2BCYP2D6
SCHEMBL13454924 0.82 PI4KA (0.62) ADORA3ADORA1ADORA2AADORA2BCYP2D6
SCHEMBL15426674 0.80 ADORA2A (0.49) ADORA3ADORA1ADORA2AADORA2BCYP2D6

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
EP-1030856-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
US-6740644-B2 ADENOSINE DERIVATIVES, AGONISTS AT THE ADENOSINE A1 RECEPTOR SMITHKLINE BEECHAM CORPORATION 2004-05-25 US disclosed
US-20030158146-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2003-08-21 US disclosed
US-6544960-B1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2003-04-08 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-20030158146-A1 Chemical compounds CNR1, ADORA3, ADORA1 ADORA3 2/4885ADORA1 3/4885ADORA2A 9/4885

“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.