SCHEMBL6239243

SCHEMBL6239243

CC(=O)OC[C@@H]1C=C[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.53
HSP90B1 P14625 2/20 0.50
AHCY P23526 10/20 0.48
ADORA2B P29275 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
HIF1A Q16665 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ADORA2A P29274 1/20 0.46
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL5858366 0.89 BCHE (0.51) BCHEHSP90B1AHCYADORA2BADORA3
SCHEMBL2955999 0.88 BCHE (0.42) BCHEHSP90B1AHCYADORA2BADORA3
SCHEMBL5494937 0.88 BCHE (0.47) BCHEHSP90B1AHCYADORA2BADORA3
SCHEMBL112551 0.81 ADORA3 (0.57) AHCYADORA2BADORA3ADORA2A
SCHEMBL7153500 0.81 ADORA3 (0.57) AHCYADORA2BADORA3ADORA2A
SCHEMBL1980312 0.81 ADORA3 (0.57) AHCYADORA2BADORA3ADORA2A
SCHEMBL9218734 0.80 BCHE (0.51) BCHEHSP90B1AHCYADORA2BADORA3
SCHEMBL5498025 0.79 EHMT1 (0.50) BCHEAHCYADORA2A
SCHEMBL9856805 0.79 P2RX3 (0.64)
SCHEMBL21427226 0.77 BCHE (0.55) BCHEHSP90B1AHCYADORA2A

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-20050171126-A1 Process for the production of purine nucleoside compounds AJINOMOTO CO., INC. (JP) 2005-08-04 US disclosed
EP-1550665-A1 A process for the production of purine nucleoside compounds Ajinomoto Co., Inc. (JP) 2005-07-06 EP disclosed
US-5106962-A Reacting nucleosides with viologens in the presence of base AJINOMOTO CO., INC. (JP) 1992-04-21 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-20050171126-A1 Process for the production of purine nucleoside compounds PNP, NUDT1, UMPS BCHE 871/4885HSP90B1 3906/4885AHCY 244/4885

“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.