SCHEMBL5397275

SCHEMBL5397275

CNc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 1.00
▸ ADORA1 P30542 17/20 1.00
▸ ADORA2A P29274 16/20 1.00
▸ ADORA2B P29275 14/20 1.00
▸ HTR2A P28223 1/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66

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
SCHEMBL6263899 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BHTR2A
SCHEMBL6263905 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BHTR2A
SCHEMBL19464857 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BHTR2A
SCHEMBL5734430 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4538178 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5392774 0.85 ADORA3 (0.82) ADORA3ADORA1ADORA2AADORA2BHTR2A
SCHEMBL5383774 0.85 ADORA3 (0.82) ADORA3ADORA1ADORA2AADORA2BHTR2A
SCHEMBL19459896 0.84 ADORA3 (0.80) ADORA3ADORA1ADORA2AADORA2BHTR2A
SCHEMBL19464858 0.84 ADORA3 (0.80) ADORA3ADORA1ADORA2AADORA2BHTR2A
SCHEMBL19459895 0.84 ADORA3 (0.80) 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 3 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-20040116376-A1 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. 2004-06-17 — — US disclosed
US-20030078232-A1 Adenosine receptor A3 agonists CV THERAPEUTICS, INC. 2003-04-24 — — US 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.

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