SCHEMBL21839730

SCHEMBL21839730

CC(Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NT5E P21589 9/20 0.79
PRKAG1 P54619 1/20 0.62
PRKAA1 Q13131 1/20 0.62
PRKAB1 Q9Y478 1/20 0.62
DNPH1 O43598 2/20 0.60
P2RY12 Q9H244 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
ALOX12 P18054 1/20 0.57
NFKB1 P19838 1/20 0.57
HIF1A Q16665 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
PMP22 Q01453 1/20 0.57

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
SCHEMBL30394683 1.00 NT5E (0.79) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL30394507 0.92 NT5E (0.68) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL21839552 0.92 NT5E (0.68) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL21839549 0.92 NT5E (0.68) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL21839512 0.92 NT5E (0.67) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL30394718 0.92 NT5E (0.67) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL21839513 0.92 NT5E (0.67) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL21839636 0.89 NT5E (0.64) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL21839635 0.89 NT5E (0.64) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL30394795 0.89 NT5E (0.64) NT5EPRKAG1PRKAA1PRKAB1DNPH1

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 3/4885PRKAG1 438/4885PRKAA1 1337/4885
US-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 NT5E 5/4885PRKAG1 637/4885PRKAA1 1736/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885PRKAG1 438/4885PRKAA1 1337/4885

“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.