SCHEMBL3950397

SCHEMBL3950397

OC[C@H]1O[C@@H](n2cnc3c(NC4CCOC4)nc(Cl)nc32)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 1.00
ADORA2A P29274 6/20 1.00
ADORA3 P0DMS8 6/20 1.00
ADORA2B P29275 5/20 1.00
MEN1 O00255 1/20 0.79
CYP1A2 P05177 1/20 0.79
MAPK1 P28482 1/20 0.79
KMT2A Q03164 1/20 0.79
RXFP1 Q9HBX9 1/20 0.78
SLC28A1 O00337 1/20 0.75
SLC29A1 Q99808 1/20 0.75
NT5E P21589 1/20 0.73

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
SCHEMBL7169928 1.00 ADORA1 (1.00) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL6574678 0.94 ADORA3 (0.89) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL6574672 0.94 ADORA3 (0.89) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL5393611 0.90 ADORA3 (0.92) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL3956133 0.90 ADORA3 (0.92) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL4798923 0.89 ADORA3 (0.80) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL19807522 0.89 ADORA3 (1.00) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL472609 0.89 ADORA3 (1.00) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL2461163 0.89 ADORA3 (1.00) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL3950346 0.89 ADORA3 (1.00) ADORA1ADORA2AADORA3ADORA2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7381714-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1883646-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-02-06 EP 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
US-20060276428-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-07 US disclosed
WO-2006125190-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 WO 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 (3 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 ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885
US-20060281705-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885
US-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885

“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.