SCHEMBL4179230

SCHEMBL4179230

NC(=O)c1cnn(-c2nc(NC3CCCC3)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 1.00
ADORA1 P30542 14/20 1.00
ADORA2A P29274 5/20 0.72

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
SCHEMBL4179236 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2A
SCHEMBL13800671 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2A
SCHEMBL3948603 0.99 ADORA3 (0.98) ADORA3ADORA1ADORA2A
SCHEMBL3948607 0.99 ADORA3 (0.98) ADORA3ADORA1ADORA2A
SCHEMBL3945824 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2A
SCHEMBL13800681 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2A
SCHEMBL3945847 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2A
SCHEMBL3945835 0.92 ADORA1 (0.98) ADORA3ADORA1ADORA2A
SCHEMBL3945827 0.92 ADORA1 (0.98) ADORA3ADORA1ADORA2A
SCHEMBL13800665 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ELZEIN ELFATIH 2009-06-18 US claimed
US-7514417-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2009-04-07 US claimed
EP-1881991-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-01-30 EP claimed
US-20060281705-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-14 US claimed
WO-2006125211-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 WO claimed
US-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ELZEIN ELFATIH 2009-06-18 US disclosed
US-7514417-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2009-04-07 US disclosed
EP-1881991-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-01-30 EP disclosed
US-20060281705-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-14 US disclosed
WO-2006125211-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 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-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA1 1/4885ADORA2A 2/4885
US-20060281705-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA1 1/4885ADORA2A 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.