SCHEMBL30394873

SCHEMBL30394873

COC([C@@H]1O[C@@H](n2cnc3c(NC(C)C)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 13/20 0.68
▸ ADORA3 P0DMS8 4/20 0.51
▸ ADORA1 P30542 2/20 0.51
▸ ADORA2A P29274 1/20 0.50

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
SCHEMBL30394763 0.86 NT5E (0.55) NT5EADORA3ADORA1
SCHEMBL21839830 0.81 NT5E (1.00) NT5E
SCHEMBL30394758 0.80 NT5E (0.67) NT5EADORA3ADORA1ADORA2A
SCHEMBL19100614 0.79 NT5E (1.00) NT5E
SCHEMBL30234071 0.78 NT5E (0.65) NT5EADORA3ADORA1
SCHEMBL30394027 0.76 P2RX3 (0.53) NT5EADORA1ADORA2A
SCHEMBL30394892 0.76 DOT1L (0.52) ADORA3ADORA1ADORA2A
SCHEMBL5782783 0.75 PRMT5 (0.48) NT5EADORA3ADORA1
SCHEMBL30394512 0.75 PRMT5 (0.48) NT5EADORA3ADORA1
SCHEMBL17898106 0.75 NT5E (0.73) NT5EADORA3ADORA1ADORA2A

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-11591355-B2 CD73 inhibitors and uses thereof PELOTON THERAPEUTICS INC. (US) 2023-02-28 — — 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-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 NT5E 5/4885ADORA3 9/4885ADORA1 16/4885

“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.

Send feedback