SCHEMBL13689761

SCHEMBL13689761

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.71
▸ ADORA2A P29274 5/20 0.71
▸ TSHR P16473 3/20 0.71
▸ ADORA2B P29275 3/20 0.71
▸ ADORA1 P30542 3/20 0.71
▸ MAPK1 P28482 2/20 0.71
▸ HSP90AA1 P07900 2/20 0.71
▸ HSP90B1 P14625 2/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ TMIGD3 P0DMS9 1/20 0.71
▸ RXFP1 Q9HBX9 1/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ PI4KA P42356 1/20 0.64
▸ PI4K2B Q8TCG2 1/20 0.64
▸ PI4K2A Q9BTU6 1/20 0.64
▸ PI4KB Q9UBF8 1/20 0.64
▸ AHCY P23526 1/20 0.61

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
SCHEMBL13901807 1.00 ADORA3 (0.71) ADORA3ADORA2ATSHRADORA2BADORA1
SCHEMBL22354945 0.89 ADORA3 (0.60) ADORA3ADORA2ATSHRADORA2BADORA1
SCHEMBL22332144 0.89 ADORA3 (0.69) ADORA3ADORA2ATSHRADORA2BADORA1
SCHEMBL20925712 0.89 ADORA3 (0.69) ADORA3ADORA2ATSHRADORA2BADORA1
SCHEMBL20925696 0.89 ADORA3 (0.69) ADORA3ADORA2ATSHRADORA2BADORA1
SCHEMBL29417473 0.88 PI4KA (0.59) ADORA3ADORA2ATSHRADORA2BADORA1
SCHEMBL22354943 0.88 PI4KA (0.59) ADORA3ADORA2ATSHRADORA2BADORA1
SCHEMBL22342582 0.88 PI4KA (0.59) ADORA3ADORA2ATSHRADORA2BADORA1
SCHEMBL22354823 0.88 PI4KA (0.69) ADORA3ADORA2ATSHRADORA2BADORA1
SCHEMBL17297709 0.87 PI4KA (0.58) ADORA3ADORA2ATSHRADORA2BADORA1

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-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 — — US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 — — US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 — — US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 — — 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-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS ADORA3, ADORA1, ADORA2A ADORA3 1/4885ADORA2A 3/4885TSHR 219/4885

“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.

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