SCHEMBL21839677

SCHEMBL21839677

O=P(O)(O)COC[C@H]1O[C@@H](n2ccc3c(NC4CCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NT5E P21589 18/20 0.74
ADORA3 P0DMS8 2/20 0.56
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56

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
SCHEMBL20524194 0.99 NT5E (0.75) NT5EADORA3ADORA2AADORA1
SCHEMBL23914987 0.99 NT5E (0.75) NT5EADORA3ADORA2AADORA1
SCHEMBL21839805 0.97 NT5E (0.74) NT5EADORA3ADORA2AADORA1
SCHEMBL21839498 0.93 NT5E (0.68) NT5E
SCHEMBL22206528 0.92 NT5E (0.67) NT5E
SCHEMBL21839603 0.91 NT5E (0.62) NT5E
SCHEMBL21839972 0.91 NT5E (0.64) NT5E
SCHEMBL20524264 0.90 NT5E (0.63) NT5EADORA3ADORA2AADORA1
SCHEMBL23915855 0.90 NT5E (0.63) NT5EADORA3ADORA2AADORA1
SCHEMBL23914879 0.90 NT5E (0.63) 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 6 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-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
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2021-10-14 US disclosed
US-20200115404-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS INC. 2020-04-16 US disclosed
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 (3 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 3/4885ADORA3 29/4885ADORA2A 11/4885
US-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 NT5E 5/4885ADORA3 9/4885ADORA2A 8/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885ADORA3 29/4885ADORA2A 11/4885

“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.