SCHEMBL5389657

SCHEMBL5389657

CNc1nc(NN)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.77
ADORA1 P30542 10/20 0.77
ADORA2A P29274 6/20 0.77
ADORA2B P29275 5/20 0.77
HTR2A P28223 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2C19 P33261 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
SCHEMBL5393072 1.00 ADORA3 (0.77) ADORA3ADORA1ADORA2AADORA2BHTR2A
SCHEMBL5389218 0.90 ADORA2A (0.74) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7083928 0.90 ADORA2A (0.74) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6257693 0.88 ADORA2A (0.71) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL14424394 0.87 ADORA2A (0.80) ADORA3ADORA1ADORA2AADORA2BCYP1A2
SCHEMBL13800658 0.87 ADORA2A (0.80) ADORA3ADORA1ADORA2AADORA2BCYP1A2
SCHEMBL14853634 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BHTR2A
SCHEMBL18464461 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BHTR2A
SCHEMBL4803033 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BHTR2A
SCHEMBL6758941 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BHTR2A

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 8 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
US-7262176-B2 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
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.