SCHEMBL3317153

SCHEMBL3317153

Nc1ncnc2c1ncn2[C@]1(SCCC2CCCCC2)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.48
ADORA3 P0DMS8 4/20 0.48
ADORA2B P29275 5/20 0.44
EHMT1 Q9H9B1 2/20 0.44
EHMT2 Q96KQ7 1/20 0.44
SLC28A1 O00337 2/20 0.43
DPP4 P27487 1/20 0.43
MEN1 O00255 1/20 0.43
MAP3K7 O43318 1/20 0.43
SLC28A2 O43868 1/20 0.43
GAPDH P04406 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA1 P30542 1/20 0.43
STAT6 P42226 1/20 0.43
PI4KA P42356 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
DOT1L Q8TEK3 1/20 0.43
SLC29A1 Q99808 1/20 0.43

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
SCHEMBL28160452 0.84 ADORA3 (0.45) ADORA2AADORA3ADORA2BSLC28A1DPP4
SCHEMBL998090 0.83 PI4KA (0.48) ADORA2AADORA3ADORA2BSLC28A1DPP4
SCHEMBL2297051 0.83 ADORA2A (0.47) ADORA2AADORA3ADORA2BEHMT1EHMT2
SCHEMBL4884759 0.82 EHMT1 (0.48) ADORA2AADORA3ADORA2BEHMT1SLC28A1
SCHEMBL160357 0.81 ADORA3 (0.53) ADORA2AADORA3ADORA2BSLC28A1DPP4
SCHEMBL9495963 0.81 PI4KA (0.46) ADORA2AADORA3ADORA2BSLC28A1DPP4
SCHEMBL13268987 0.81 ADORA3 (0.51) ADORA2AADORA3ADORA2BEHMT1EHMT2
SCHEMBL3317164 0.79 ADORA2A (0.47) ADORA2AADORA3ADORA2BEHMT1EHMT2
SCHEMBL6935380 0.79 PI4KA (0.48) ADORA2AADORA3ADORA2BSLC28A1DPP4
SCHEMBL120561 0.79 ADORA3 (0.50) ADORA2AADORA3ADORA2BEHMT1EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021350-B1 PHOSPHORYLATED A2A RECEPTOR AGONISTS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2016-12-21 EP disclosed
US-9505796-B2 Phosphorylated A2A receptor agonists CROZET MEDICAL GMBH (DE) 2016-11-29 US disclosed
US-20140288019-A1 Phosphorylated A2A Receptor Agonists RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2014-09-25 US disclosed
US-20100048501-A1 Phosphorylated A2A Receptor Agonists HEINRICH-HEINE-UNIVERSITAT DUSSELDORF (DE) 2010-02-25 US disclosed
EP-2021350-A1 PHOSPHORYLATED A2A RECEPTOR AGONISTS Schrader, Jürgen (DE) 2009-02-11 EP disclosed
WO-2007107598-A1 PHOSPHORYLATED A2A RECEPTOR AGONISTS HEINRICH-HEINE-UNIVERSITÄT DÜSSELDORF (DE) 2007-09-27 WO 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 (2 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-20100048501-A1 Phosphorylated A2A Receptor Agonists ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA2B 2/4885
US-20140288019-A1 Phosphorylated A2A Receptor Agonists ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA2B 2/4885

“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.