SCHEMBL21839635

SCHEMBL21839635

C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NT5E P21589 15/20 0.64
DNPH1 O43598 2/20 0.55
PRKAG1 P54619 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53
P2RY12 Q9H244 1/20 0.52

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
SCHEMBL21839636 1.00 NT5E (0.64) NT5EDNPH1PRKAG1PRKAA1PRKAB1
SCHEMBL30394795 1.00 NT5E (0.64) NT5EDNPH1PRKAG1PRKAA1PRKAB1
SCHEMBL30394683 0.89 NT5E (0.79) NT5EDNPH1PRKAG1PRKAA1PRKAB1
SCHEMBL21839730 0.89 NT5E (0.79) NT5EDNPH1PRKAG1PRKAA1PRKAB1
SCHEMBL23907506 0.89 NT5E (0.61) NT5EDNPH1PRKAG1PRKAA1PRKAB1
SCHEMBL21839552 0.88 NT5E (0.68) NT5EDNPH1PRKAG1PRKAA1PRKAB1
SCHEMBL21839549 0.88 NT5E (0.68) NT5EDNPH1PRKAG1PRKAA1PRKAB1
SCHEMBL30394507 0.88 NT5E (0.68) NT5EDNPH1PRKAG1PRKAA1PRKAB1
SCHEMBL21839513 0.87 NT5E (0.67) NT5EDNPH1PRKAG1PRKAA1PRKAB1
SCHEMBL21839512 0.87 NT5E (0.67) NT5EDNPH1PRKAG1PRKAA1PRKAB1

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 3/4885DNPH1 297/4885PRKAG1 438/4885
US-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 NT5E 5/4885DNPH1 1090/4885PRKAG1 637/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885DNPH1 297/4885PRKAG1 438/4885

“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.