SCHEMBL3316711

SCHEMBL3316711

Nc1nc(SCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.75
P2RX3 P56373 3/20 0.70
CA5A P35218 1/20 0.67
P2RY1 P47900 5/20 0.65
ENPP1 P22413 3/20 0.65
P2RY12 Q9H244 2/20 0.65
P2RY11 Q96G91 4/20 0.64
P2RX1 P51575 1/20 0.64
P2RY6 Q15077 1/20 0.64
P2RX4 Q99571 1/20 0.64
NT5E P21589 1/20 0.63
DNPH1 O43598 1/20 0.62
PRKAB2 O43741 1/20 0.62
TRPM2 O94759 1/20 0.62
LDHA P00338 1/20 0.62
ADRB2 P07550 1/20 0.62
FBP1 P09467 1/20 0.62
SRC P12931 1/20 0.62
ADORA1 P30542 1/20 0.62
P2RY2 P41231 1/20 0.62

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
SCHEMBL3318315 0.93 P2RX3 (0.78) ADORA3P2RX3CA5AP2RY1ENPP1
SCHEMBL8862431 0.87 P2RX3 (0.81) P2RX3CA5AP2RY1ENPP1P2RY12
SCHEMBL11809422 0.86 ADORA3 (1.00) ADORA3ADORA1
SCHEMBL11809451 0.86 ADORA3 (1.00) ADORA3ADORA1
SCHEMBL3319754 0.85 P2RX3 (0.87) P2RX3CA5AP2RY1ENPP1P2RY12
SCHEMBL3810246 0.85 P2RX3 (0.87) P2RX3CA5AP2RY1ENPP1P2RY12
SCHEMBL8862410 0.85 P2RY1 (0.86) P2RX3P2RY1ENPP1P2RY12P2RY11
SCHEMBL2527383 0.85 P2RY1 (0.86) P2RX3P2RY1ENPP1P2RY12P2RY11
SCHEMBL3490789 0.85 P2RY1 (0.86) P2RX3P2RY1ENPP1P2RY12P2RY11
SCHEMBL3321319 0.85 NT5E (0.85) ADORA3P2RX3CA5AP2RY1ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048501-A1 Phosphorylated A2A Receptor Agonists HEINRICH-HEINE-UNIVERSITAT DUSSELDORF (DE) 2010-02-25 US claimed
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 ADORA3 3/4885P2RX3 9/4885CA5A 1407/4885
US-20140288019-A1 Phosphorylated A2A Receptor Agonists ADORA2A, ADORA2B, ADORA3 ADORA3 3/4885P2RX3 9/4885CA5A 1407/4885

“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.