SCHEMBL2463074

SCHEMBL2463074

CCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.85
ADORA2A P29274 2/20 0.75
SLC29A1 Q99808 1/20 0.72
ADORA1 P30542 2/20 0.69

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
SCHEMBL2463062 1.00 ADORA3 (0.85) ADORA3ADORA2ASLC29A1ADORA1
SCHEMBL28769810 0.94 ADORA3 (0.93) ADORA3ADORA2ASLC29A1
SCHEMBL2462234 0.93 ADORA3 (0.98) ADORA3ADORA2ASLC29A1
SCHEMBL2462228 0.93 ADORA3 (0.98) ADORA3ADORA2ASLC29A1
SCHEMBL2458424 0.92 ADORA3 (0.79) ADORA3ADORA2AADORA1
SCHEMBL2458421 0.92 ADORA3 (0.79) ADORA3ADORA2AADORA1
SCHEMBL11881369 0.92 ADORA3 (0.80) ADORA3ADORA2AADORA1
SCHEMBL11881402 0.92 ADORA3 (0.80) ADORA3ADORA2AADORA1
SCHEMBL11876564 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1
SCHEMBL11876601 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654285-A ADP and ATP analogues, process for making and administration to inhibit ADP-induced platelet aggregation ASTRA PHARMACEUTICALS LIMITED (GB) 1997-08-05 US claimed
EP-0508687-B1 ATP analogues FISONS PLC (GB) 1995-09-13 EP claimed
EP-0579643-A1 ATP ANALOGUES FISONS plc (GB) 1994-01-26 EP claimed
WO-1992017488-A1 ATP ANALOGUES FISONS PLC (GB) 1992-10-15 WO claimed
EP-0508687-A1 ATP analogues Astra Pharmaceuticals Limited (GB) 1992-10-14 EP claimed
EP-2364086-B1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GLSYNTHESIS INC (US) 2016-09-14 EP disclosed
US-8575127-B2 Antithrombotic diadenosine tetraphosphates and related analogs GLSYNTHESIS INC. (US) 2013-11-05 US disclosed
US-20110257252-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GLSYNTHESIS INC. (US) 2011-10-20 US disclosed
EP-2364086-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS Glsynthesis Inc. (US) 2011-09-14 EP disclosed
WO-2010059215-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GLSYNTHESIS INC. (US) 2010-05-27 WO disclosed
US-5654285-A ADP and ATP analogues, process for making and administration to inhibit ADP-induced platelet aggregation ASTRA PHARMACEUTICALS LIMITED (GB) 1997-08-05 US disclosed
EP-0508687-B1 ATP analogues FISONS PLC (GB) 1995-09-13 EP disclosed
EP-0579643-A1 ATP ANALOGUES FISONS plc (GB) 1994-01-26 EP disclosed
WO-1992017488-A1 ATP ANALOGUES FISONS PLC (GB) 1992-10-15 WO disclosed
EP-0508687-A1 ATP analogues Astra Pharmaceuticals Limited (GB) 1992-10-14 EP 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-20110257252-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GP6, P2RY6, PFKP ADORA3 59/4885ADORA2A 75/4885SLC29A1 224/4885

“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.