SCHEMBL10455251

SCHEMBL10455251

Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)C(O)[C@@H]1O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 7/20 0.73
▸ ADORA2A P29274 4/20 0.73
▸ HSP90B1 P14625 4/20 0.73
▸ ADORA2B P29275 3/20 0.73
▸ ADORA1 P30542 3/20 0.73
▸ RXFP1 Q9HBX9 1/20 0.73
▸ HRH1 P35367 1/20 0.73
▸ TMEM97 Q5BJF2 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ BLM P54132 1/20 0.73
▸ HSP90AA1 P07900 2/20 0.68
▸ METTL3 Q86U44 1/20 0.64
▸ METTL14 Q9HCE5 1/20 0.64

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
SCHEMBL10456383 1.00 ADORA3 (0.73) ADORA3ADORA2AHSP90B1ADORA2BADORA1
SCHEMBL12359638 1.00 ADORA3 (0.73) ADORA3ADORA2AHSP90B1ADORA2BADORA1
SCHEMBL1951157 1.00 ADORA3 (0.73) ADORA3ADORA2AHSP90B1ADORA2BADORA1
SCHEMBL13473622 0.88 ADORA3 (0.73) ADORA3ADORA2AHSP90B1ADORA2BADORA1
SCHEMBL19423461 0.87 ADORA3 (0.77) ADORA3ADORA2AHSP90B1ADORA2BADORA1
SCHEMBL15462103 0.87 ADORA3 (0.77) ADORA3ADORA2AHSP90B1ADORA2BADORA1
SCHEMBL8102669 0.85 ADORA3 (1.00) ADORA3ADORA2AHSP90B1ADORA2BADORA1
SCHEMBL30101819 0.85 ADORA3 (1.00) ADORA3ADORA2AHSP90B1ADORA2BADORA1
SCHEMBL14532997 0.84 AHCY (0.69) ADORA3ADORA2AHSP90B1ADORA2BADORA1
SCHEMBL10459063 0.84 ADORA2A (0.69) ADORA3ADORA2AHSP90B1ADORA2BADORA1

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 7 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-20110136755-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-09 — — 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-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-11-12 — — US disclosed
US-7589076-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGX HEALTH, LLC (US) 2009-09-15 — — US disclosed
US-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADENOSINE THERAPEUTICS, LLC 2007-11-22 — — 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 (4 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-20110136755-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885HSP90B1 4637/4885
US-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 1/4885HSP90B1 4047/4885
US-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 1/4885HSP90B1 4047/4885
US-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 1/4885HSP90B1 4047/4885

“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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