SCHEMBL10458533

SCHEMBL10458533

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(CC4CCN(C(=O)Oc5ccc(OC)cc5)CC4)nc32)C(O)C1O

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.65
▸ ADORA2A P29274 10/20 0.59
▸ ADORA1 P30542 6/20 0.58
▸ ADORA2B P29275 1/20 0.58
▸ HSP90B1 P14625 1/20 0.58

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
SCHEMBL10459242 0.95 ADORA2A (0.59) ADORA3ADORA2AADORA1ADORA2BHSP90B1
SCHEMBL10459214 0.94 ADORA2A (0.58) ADORA3ADORA2AADORA1ADORA2BHSP90B1
SCHEMBL10459485 0.94 ADORA3 (0.57) ADORA3ADORA2AADORA1ADORA2BHSP90B1
SCHEMBL10458796 0.94 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2BHSP90B1
SCHEMBL10456423 0.94 ADORA2A (0.62) ADORA3ADORA2AADORA1ADORA2BHSP90B1
SCHEMBL10459363 0.92 ADORA2A (0.64) ADORA3ADORA2AADORA1ADORA2BHSP90B1
SCHEMBL14532795 0.91 ADORA2A (0.65) ADORA3ADORA2AADORA1ADORA2BHSP90B1
SCHEMBL13385561 0.91 ADORA2A (0.65) ADORA3ADORA2AADORA1ADORA2BHSP90B1
SCHEMBL10459403 0.91 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2BHSP90B1
SCHEMBL14393652 0.91 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2BHSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222228-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-07-17 — — US disclosed
US-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2011-04-21 — — US disclosed
US-7888329-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGXHEALTH, LLC (US) 2011-02-15 — — US disclosed
US-7589076-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGX HEALTH, LLC (US) 2009-09-15 — — 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-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 1/4885ADORA1 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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