SCHEMBL21882859

SCHEMBL21882859

CCOP(=O)(COC[C@H]1O[C@@H](n2ccc3c(N[C@H](C)c4ccccc4)cc(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NT5E P21589 17/20 0.41
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
KCNN3 Q9UGI6 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL30393413 1.00 NT5E (0.41) NT5EADORA2AADORA2BKCNN3IDH1
SCHEMBL23915080 1.00 NT5E (0.41) NT5EADORA2AADORA2BKCNN3IDH1
SCHEMBL21839741 0.91 NT5E (0.50) NT5E
SCHEMBL21839740 0.91 NT5E (0.50) NT5E
SCHEMBL21882935 0.89 NT5E (0.49) NT5E
SCHEMBL21839661 0.89 NT5E (0.49) NT5E
SCHEMBL21839663 0.89 NT5E (0.49) NT5E
SCHEMBL21839818 0.85 ADORA2A (0.42) NT5EADORA2AADORA2BKCNN3IDH1
SCHEMBL21839816 0.85 ADORA2A (0.42) NT5EADORA2AADORA2BKCNN3IDH1
SCHEMBL21882856 0.85 ADORA2A (0.42) NT5EADORA2AADORA2BKCNN3IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115404-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS INC. 2020-04-16 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-20200115404-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885ADORA2A 11/4885ADORA2B 51/4885

“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.