SCHEMBL23915137

SCHEMBL23915137

N#Cc1nc(N2CC3CCCC3C2)c2ccn([C@@H]3OC(CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NT5E P21589 10/20 0.39
P2RY2 P41231 5/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
P2RY6 Q15077 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
SCHEMBL21839701 1.00 NT5E (0.39) NT5EP2RY2ADORA3ADORA1P2RY6
SCHEMBL21839455 0.89 NT5E (0.48) NT5E
SCHEMBL21839694 0.86 NT5E (0.49) NT5E
SCHEMBL21839739 0.86 NT5E (0.46) NT5E
SCHEMBL21883326 0.86 NT5E (0.46) NT5E
SCHEMBL23765268 0.85 NT5E (0.40) NT5EP2RY2
SCHEMBL23907445 0.83 P2RY2 (0.37) NT5EP2RY2P2RY6
SCHEMBL21839548 0.82 NT5E (0.49) NT5E
SCHEMBL21839864 0.80 NT5E (0.50) NT5E
SCHEMBL21839734 0.79 NT5E (0.52) NT5E

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-11591355-B2 CD73 inhibitors and uses thereof PELOTON THERAPEUTICS INC. (US) 2023-02-28 US disclosed
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2021-10-14 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 (2 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 5/4885P2RY2 23/4885ADORA3 9/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885P2RY2 43/4885ADORA3 29/4885

“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.