SCHEMBL10089239

SCHEMBL10089239

CC(C)(C)COC(=O)N1CCC(Cc2nc(N)c3ncn([C@@H]4O[C@H](C(=O)NC5CC5)C(O)C4O)c3n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.64
▸ ADORA3 P0DMS8 4/20 0.54
▸ ADORA2B P29275 3/20 0.54
▸ ADORA1 P30542 3/20 0.54
▸ HSP90B1 P14625 2/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ HRH1 P35367 1/20 0.54
▸ TMEM97 Q5BJF2 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ METTL3 Q86U44 1/20 0.52
▸ METTL14 Q9HCE5 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.51

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
SCHEMBL13385560 0.91 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL14043371 0.91 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12010026 0.91 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12118176 0.91 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12118826 0.89 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12118187 0.89 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12010005 0.89 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12952375 0.88 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL10459519 0.87 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL10457303 0.87 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1HSP90B1

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-8178509-B2 Method to treat sickle cell disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 — — US disclosed
US-20110166094-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATING RECURRENT TUMOR GROWTH PGXHEALTH, L.L.C. (US) 2011-07-07 — — 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-7378400-B2 Method to reduce an inflammatory response from arthritis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-27 — — 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 (2 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 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885
US-20110166094-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATING RECURRENT TUMOR GROWTH ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885

“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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