SCHEMBL13211005

SCHEMBL13211005

CCOP(=O)(OCC)C(NC(=O)CCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)P(=O)(OCC)OCC

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.71
▸ HSP90B1 P14625 2/20 0.66
▸ HSP90AA1 P07900 1/20 0.66
▸ ADORA3 P0DMS8 1/20 0.66
▸ ADORA2A P29274 1/20 0.66
▸ ADORA2B P29275 1/20 0.66
▸ ADORA1 P30542 1/20 0.66
▸ PRKACA P17612 6/20 0.65
▸ ROCK2 O75116 1/20 0.64
▸ TSHR P16473 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63

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
SCHEMBL3027682 1.00 AHCY (0.71) AHCYHSP90B1HSP90AA1ADORA3ADORA2A
SCHEMBL3016115 0.95 AHCY (0.68) AHCYHSP90B1HSP90AA1ADORA3ADORA2A
SCHEMBL13211004 0.95 AHCY (0.68) AHCYHSP90B1HSP90AA1ADORA3ADORA2A
SCHEMBL13211002 0.83 AHCY (0.63) AHCYHSP90B1HSP90AA1ADORA3ADORA2A
SCHEMBL25047825 0.81 AHCY (0.84) AHCYHSP90B1HSP90AA1ADORA3ADORA2A
SCHEMBL30941230 0.81 AHCY (0.84) AHCYHSP90B1HSP90AA1ADORA3ADORA2A
SCHEMBL10001410 0.81 PRKACA (0.83) AHCYHSP90B1HSP90AA1ADORA3ADORA2A
SCHEMBL31617851 0.79 AHCY (0.83) AHCYHSP90B1HSP90AA1ADORA3ADORA2A
SCHEMBL25046624 0.79 AHCY (0.83) AHCYHSP90B1HSP90AA1ADORA3ADORA2A
SCHEMBL14178249 0.79 ADORA3 (0.82) AHCYHSP90B1HSP90AA1ADORA3ADORA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2010-08-12 — — US disclosed
US-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2010-08-12 — — 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-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS NT5E, NT5C2, ENTPD1 AHCY 598/4885HSP90B1 1346/4885HSP90AA1 3048/4885

“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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