SCHEMBL17232109

SCHEMBL17232109

COC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@](C)(O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.48
ADORA1 P30542 6/20 0.45
ADORA2B P29275 5/20 0.45
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 1/20 0.43
NT5E P21589 1/20 0.43
ADORA3 P0DMS8 2/20 0.42
ADA P00813 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL15257614 0.89 ADORA2A (0.46) ADORA2AADORA1ADORA2BIMPDH2IMPDH1
SCHEMBL15257714 0.89 ADORA2A (0.46) ADORA2AADORA1ADORA2BIMPDH2IMPDH1
SCHEMBL15045902 0.89 ADORA2A (0.52) ADORA2ANT5EADORA3ADA
SCHEMBL17232110 0.89 NT5E (0.43) ADORA2AIMPDH2IMPDH1NT5EADORA3
SCHEMBL15259226 0.89 ADORA2A (0.52) ADORA2ANT5EADORA3ADA
SCHEMBL15459915 0.89 ADORA2A (0.60) ADORA2AADORA1ADORA2BADORA3ADA
SCHEMBL14583683 0.89 ADORA2A (0.60) ADORA2AADORA1ADORA2BADORA3ADA
SCHEMBL13559229 0.89 ADORA2A (0.60) ADORA2AADORA1ADORA2BADORA3ADA
SCHEMBL15045893 0.84 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3
SCHEMBL15044551 0.83 ADORA2A (0.45) ADORA2AADORA1ADORA2BIMPDH2IMPDH1

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-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
US-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME CORP. (US) 2015-11-05 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-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS DCK, DTYMK, TK1 ADORA2A 353/4885ADORA1 1092/4885ADORA2B 773/4885

“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.