SCHEMBL3318315

SCHEMBL3318315

Nc1nc(SCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.78
ADORA3 P0DMS8 2/20 0.75
ADORA1 P30542 2/20 0.67
P2RY12 Q9H244 2/20 0.66
CA5A P35218 1/20 0.66
P2RY1 P47900 3/20 0.64
ENPP1 P22413 2/20 0.64
ADORA2A P29274 1/20 0.64
P2RY11 Q96G91 2/20 0.63
P2RX1 P51575 1/20 0.63
P2RY6 Q15077 1/20 0.63
P2RX4 Q99571 1/20 0.63
NT5E P21589 2/20 0.63

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
SCHEMBL3316711 0.93 ADORA3 (0.75) P2RX3ADORA3ADORA1P2RY12CA5A
SCHEMBL3810246 0.88 P2RX3 (0.87) P2RX3P2RY12CA5AP2RY1ENPP1
SCHEMBL3319754 0.88 P2RX3 (0.87) P2RX3P2RY12CA5AP2RY1ENPP1
SCHEMBL6514561 0.88 P2RX3 (1.00) P2RX3ADORA3P2RY12P2RY1ENPP1
SCHEMBL6514575 0.88 P2RX3 (1.00) P2RX3ADORA3P2RY12P2RY1ENPP1
SCHEMBL29614811 0.88 P2RX3 (1.00) P2RX3ADORA3P2RY12P2RY1ENPP1
SCHEMBL8862400 0.87 P2RX3 (0.94) P2RX3ADORA3P2RY12CA5AP2RY1
SCHEMBL8862431 0.86 P2RX3 (0.81) P2RX3ADORA1P2RY12CA5AP2RY1
SCHEMBL8862414 0.86 P2RX3 (0.98) P2RX3ADORA3P2RY12CA5AP2RY1
SCHEMBL3318460 0.85 P2RX3 (1.00) P2RX3ADORA3P2RY12CA5AP2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505796-B2 Phosphorylated A2A receptor agonists CROZET MEDICAL GMBH (DE) 2016-11-29 US claimed
US-20100048501-A1 Phosphorylated A2A Receptor Agonists HEINRICH-HEINE-UNIVERSITAT DUSSELDORF (DE) 2010-02-25 US claimed
EP-2021350-A1 PHOSPHORYLATED A2A RECEPTOR AGONISTS Schrader, Jürgen (DE) 2009-02-11 EP claimed
WO-2007107598-A1 PHOSPHORYLATED A2A RECEPTOR AGONISTS HEINRICH-HEINE-UNIVERSITÄT DÜSSELDORF (DE) 2007-09-27 WO claimed
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-9505796-B2 Phosphorylated A2A receptor agonists CROZET MEDICAL GMBH (DE) 2016-11-29 US 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-20140288019-A1 Phosphorylated A2A Receptor Agonists RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2014-09-25 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
US-20100048501-A1 Phosphorylated A2A Receptor Agonists HEINRICH-HEINE-UNIVERSITAT DUSSELDORF (DE) 2010-02-25 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 P2RX3 9/4885ADORA3 3/4885ADORA1 4/4885
US-20140288019-A1 Phosphorylated A2A Receptor Agonists ADORA2A, ADORA2B, ADORA3 P2RX3 9/4885ADORA3 3/4885ADORA1 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.