SCHEMBL6746246

SCHEMBL6746246

CC[Si](CC)(CC)OC1CCCC1Nc1ncnc2c1ncn2C1OC(CO)C2OC(C)(C)OC21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.57
ADORA1 P30542 9/20 0.57
ADORA3 P0DMS8 5/20 0.57
PI4KA P42356 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
PI4K2A Q9BTU6 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
ADORA2B P29275 3/20 0.55
CYP2D6 P10635 1/20 0.54

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
SCHEMBL13454924 0.88 PI4KA (0.62) ADORA2AADORA1ADORA3PI4KAPI4K2B
SCHEMBL9791716 0.86 ADORA2A (0.73) ADORA2AADORA1ADORA3PI4KAPI4K2B
SCHEMBL15425667 0.86 ADORA2A (0.73) ADORA2AADORA1ADORA3PI4KAPI4K2B
SCHEMBL15426678 0.86 ADORA2A (0.73) ADORA2AADORA1ADORA3PI4KAPI4K2B
SCHEMBL10240316 0.86 ADORA2A (0.73) ADORA2AADORA1ADORA3PI4KAPI4K2B
SCHEMBL15426675 0.85 ADORA2A (0.76) ADORA2AADORA1ADORA3
SCHEMBL15425652 0.85 ADORA2A (0.76) ADORA2AADORA1ADORA3
SCHEMBL6746341 0.84 PI4KA (0.56) ADORA2AADORA1ADORA3PI4KAPI4K2B
SCHEMBL12200089 0.82 ADORA3 (0.69) ADORA2AADORA1ADORA3PI4KAPI4K2B
SCHEMBL15144301 0.82 ADORA3 (0.69) ADORA2AADORA1ADORA3PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183224-B2 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-05-22 US disclosed
US-20090062314-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2009-03-05 US disclosed
US-7423144-B2 Purine Derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2008-09-09 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-20090062314-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA3 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.