SCHEMBL10459242

SCHEMBL10459242

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

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.59
▸ ADORA3 P0DMS8 8/20 0.59
▸ ADORA1 P30542 6/20 0.59
▸ ADORA2B P29275 2/20 0.59
▸ HSP90B1 P14625 1/20 0.59

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
SCHEMBL10459214 0.95 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2BHSP90B1
SCHEMBL10458533 0.95 ADORA3 (0.65) ADORA2AADORA3ADORA1ADORA2BHSP90B1
SCHEMBL10458796 0.94 ADORA3 (0.60) ADORA2AADORA3ADORA1ADORA2BHSP90B1
SCHEMBL10456423 0.94 ADORA2A (0.62) ADORA2AADORA3ADORA1ADORA2BHSP90B1
SCHEMBL13712610 0.93 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2BHSP90B1
SCHEMBL10459485 0.93 ADORA3 (0.57) ADORA2AADORA3ADORA1ADORA2BHSP90B1
SCHEMBL14393652 0.92 ADORA3 (0.58) ADORA2AADORA3ADORA1ADORA2BHSP90B1
SCHEMBL10459403 0.92 ADORA3 (0.58) ADORA2AADORA3ADORA1ADORA2BHSP90B1
SCHEMBL10458561 0.91 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2BHSP90B1
SCHEMBL10457880 0.91 ADORA2A (0.62) ADORA2AADORA3ADORA1ADORA2BHSP90B1

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-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

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 ADORA2A 1/4885ADORA3 3/4885ADORA1 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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