SCHEMBL2168478

SCHEMBL2168478

CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCC(Nc6ccnc(N[C@H]7CC[C@H](N)CC7)n6)CC5)nc(N[C@H]5CC[C@H](N)CC5)nc43)[C@@H](O)[C@H]2O)n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 20/20 0.68
ADORA2A P29274 20/20 0.68
ADORA1 P30542 19/20 0.68
ADORA2B P29275 18/20 0.68

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
SCHEMBL2167817 1.00 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2167813 1.00 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2168474 1.00 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2167810 1.00 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2168482 1.00 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7224665 0.91 ADORA3 (0.74) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7224668 0.91 ADORA3 (0.74) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2170669 0.88 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2167424 0.88 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2167402 0.88 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B

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
EP-1904512-B1 PURINE DERIVATIVES AS AGONISTS OF THE ADENOSINE A2A RECEPTOR GLAXO GROUP LTD (GB) 2012-06-20 EP claimed
US-7985740-B2 anti-inflammatory; (2R,3S,4R,5R)-2-(2-ethyl-2H-tetrazol-5-yl)-5-[2-{[2-(1H-imidazol-4-yl)ethyl]amino}-6-({trans-4-[(2-{[2-(1H-imidazol-4-yl)ethyl]amino}-1H-purin-6-yl)amino]cyclohexyl}amino)-9H-purin-9-yl]tetrahydro-3,4-furandiol; immunosuppressive agents use in treatment of auto-immune diseases GLAXO GROUP LIMITED (GB) 2011-07-26 US disclosed
US-20080214581-A1 Purine Derivatives as Agonists of the Adenosine A2a Receptor GLAXO GROUP LIMITED (GB) 2008-09-04 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-20080214581-A1 Purine Derivatives as Agonists of the Adenosine A2a Receptor ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885ADORA1 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.