SCHEMBL21839552

SCHEMBL21839552

CC(Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NT5E P21589 10/20 0.68
PRKAG1 P54619 1/20 0.62
PRKAA1 Q13131 1/20 0.62
PRKAB1 Q9Y478 1/20 0.62
RNASEL Q05823 3/20 0.53
DNPH1 O43598 1/20 0.53

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
SCHEMBL21839549 1.00 NT5E (0.68) NT5EPRKAG1PRKAA1PRKAB1RNASEL
SCHEMBL30394507 1.00 NT5E (0.68) NT5EPRKAG1PRKAA1PRKAB1RNASEL
SCHEMBL21839730 0.92 NT5E (0.79) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL30394683 0.92 NT5E (0.79) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL21839512 0.92 NT5E (0.67) NT5EPRKAG1PRKAA1PRKAB1RNASEL
SCHEMBL21839513 0.92 NT5E (0.67) NT5EPRKAG1PRKAA1PRKAB1RNASEL
SCHEMBL30394718 0.92 NT5E (0.67) NT5EPRKAG1PRKAA1PRKAB1RNASEL
SCHEMBL23907544 0.88 PRKAG1 (0.61) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL21839635 0.88 NT5E (0.64) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL21839636 0.88 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20200115404-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.