SCHEMBL5381003

SCHEMBL5381003

OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(Cl)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.75
ADORA1 P30542 4/20 0.75
ADORA2A P29274 3/20 0.75
ADORA2B P29275 2/20 0.75
NT5E P21589 1/20 0.65
MEN1 O00255 1/20 0.65
CYP1A2 P05177 1/20 0.65
MAPK1 P28482 1/20 0.65
KMT2A Q03164 1/20 0.65
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
SLC29A1 Q99808 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64

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
SCHEMBL3955616 1.00 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL30581189 0.92 ADORA3 (0.80) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL5396253 0.92 ADORA3 (0.80) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL7080746 0.92 ADORA3 (0.80) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL7080749 0.92 ADORA3 (0.80) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL4136507 0.92 ADORA3 (0.80) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL4806847 0.91 PGK1 (0.71) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL25361615 0.90 ADORA3 (0.69) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL26031390 0.90 ADORA3 (0.69) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL26031354 0.90 ADORA3 (0.69) ADORA3ADORA1ADORA2AADORA2BNT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262176-B2 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
EP-1414837-B1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2005-10-19 EP disclosed
US-20040116376-A1 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. 2004-06-17 US disclosed
EP-1414837-A1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2004-05-06 EP disclosed
US-20030078232-A1 Adenosine receptor A3 agonists CV THERAPEUTICS, INC. 2003-04-24 US disclosed
WO-2003014137-A1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2003-02-20 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 (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-20030078232-A1 Adenosine receptor A3 agonists ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA1 3/4885ADORA2A 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.