SCHEMBL10459063

SCHEMBL10459063

NC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)C(O)C1O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.69
▸ HSP90B1 P14625 2/20 0.69
▸ ADORA2B P29275 2/20 0.69
▸ AHCY P23526 2/20 0.69
▸ ADORA3 P0DMS8 10/20 0.62
▸ DNMT1 P26358 1/20 0.58
▸ ADORA1 P30542 4/20 0.58
▸ HIF1A Q16665 1/20 0.57
▸ TMEM97 Q5BJF2 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.57
▸ NT5E P21589 1/20 0.56

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
SCHEMBL2749577 0.91 AHCY (0.69) ADORA2AHSP90B1ADORA2BAHCYADORA3
SCHEMBL14532997 0.91 AHCY (0.69) ADORA2AHSP90B1ADORA2BAHCYADORA3
SCHEMBL13777726 0.91 AHCY (0.69) ADORA2AHSP90B1ADORA2BAHCYADORA3
SCHEMBL13296262 0.91 AHCY (0.69) ADORA2AHSP90B1ADORA2BAHCYADORA3
SCHEMBL2115373 0.91 AHCY (0.69) ADORA2AHSP90B1ADORA2BAHCYADORA3
SCHEMBL12160351 0.88 HSP90B1 (0.74) ADORA2AHSP90B1ADORA2BAHCYADORA3
SCHEMBL19423461 0.87 ADORA3 (0.77) ADORA2AHSP90B1ADORA2BAHCYADORA3
SCHEMBL15462103 0.87 ADORA3 (0.77) ADORA2AHSP90B1ADORA2BAHCYADORA3
SCHEMBL3484693 0.86 HSP90B1 (0.81) ADORA2AHSP90B1ADORA2BADORA3ADORA1
SCHEMBL926929 0.86 HSP90B1 (0.81) ADORA2AHSP90B1ADORA2BADORA3ADORA1

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 5 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-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

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-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885HSP90B1 4047/4885ADORA2B 4/4885
US-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885HSP90B1 4047/4885ADORA2B 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.

Send feedback