SCHEMBL12009904

SCHEMBL12009904

Nc1nc(CC2CCN(C(=O)OC3CCC3)CC2)nc2c1ncn2C1OC(C(=O)NC2CC2)C(O)C1O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.63
▸ ADORA3 P0DMS8 3/20 0.56
▸ ADORA2B P29275 3/20 0.56
▸ ADORA1 P30542 3/20 0.56
▸ HSP90B1 P14625 2/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.55
▸ HRH1 P35367 1/20 0.55
▸ TMEM97 Q5BJF2 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ METTL3 Q86U44 1/20 0.51
▸ METTL14 Q9HCE5 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
SCHEMBL12952076 1.00 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12952377 0.98 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12952375 0.97 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12010007 0.94 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12927110 0.93 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12009347 0.93 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12153352 0.93 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12009927 0.92 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12927114 0.92 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12009349 0.92 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293720-B2 Substituted 4-{3-[6-amino-9-(3, 4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-prop-2-ynyl}-piperidine-1-carboxylic acid esters as A2AR agonists DOGWOOD PHARMACEUTICALS, INC. (US) 2012-10-23 — — US disclosed
US-8252767-B2 Substituted 4-{3-[6-amino-9-(3, 4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-prop-2-ynyl}-piperidine-1-carboxylic acid esters as A2AR agonists DOGWOOD PHARMACEUTICALS, INC. (US) 2012-08-28 — — US disclosed
US-20110003765-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS ADENOSINE THERAPEUTICS, LLC 2011-01-06 — — US disclosed
US-20100093770-A1 THERAPEUTIC AGENT FOR GLAUCOMA CONTAINING ADENOSINE DERIVATIVE AS ACTIVE INGREDIENT FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-04-15 — — US disclosed
US-20090162292-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-06-25 — — 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 (3 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-20100093770-A1 THERAPEUTIC AGENT FOR GLAUCOMA CONTAINING ADENOSINE DERIVATIVE AS ACTIVE INGREDIENT ADORA2A, PDE2A, PRKG1 ADORA2A 1/4885ADORA3 12/4885ADORA2B 22/4885
US-20110003765-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885
US-20090162292-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS 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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