SCHEMBL3016115

SCHEMBL3016115

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

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.68
▸ ADORA3 P0DMS8 5/20 0.68
▸ ADORA2A P29274 4/20 0.68
▸ ADORA2B P29275 4/20 0.68
▸ ADORA1 P30542 3/20 0.68
▸ HSP90B1 P14625 3/20 0.68
▸ HSP90AA1 P07900 2/20 0.68
▸ TSHR P16473 3/20 0.65
▸ MAPK1 P28482 2/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ TMIGD3 P0DMS9 1/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ KMT2A Q03164 1/20 0.65

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
SCHEMBL13211004 1.00 AHCY (0.68) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL13211005 0.95 AHCY (0.71) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL3027682 0.95 AHCY (0.71) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL13210999 0.82 ENTPD1 (0.64) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL14178249 0.82 ADORA3 (0.82) AHCYADORA3ADORA2AADORA2BADORA1
Neca SCHEMBL19928418 0.80 TSHR (1.00) AHCYADORA3ADORA2AADORA2BADORA1
Neca SCHEMBL19928417 0.80 TSHR (1.00) AHCYADORA3ADORA2AADORA2BADORA1
Neca SCHEMBL16585523 0.80 TSHR (1.00) AHCYADORA3ADORA2AADORA2BADORA1
Neca SCHEMBL12119012 0.80 TSHR (1.00) AHCYADORA3ADORA2AADORA2BADORA1
Neca SCHEMBL18089301 0.80 TSHR (1.00) AHCYADORA3ADORA2AADORA2BADORA1

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
EP-2019834-B1 ECTONUCLEOTIDASE INHIBITORS UNIV BONN (DE) 2014-07-09 — — EP 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 598/4885ADORA3 28/4885ADORA2A 32/4885

“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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