SCHEMBL22579749

SCHEMBL22579749

O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](c2cnc3c(NCc4ccccc4)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 18/20 0.61
▸ DNPH1 O43598 1/20 0.50
▸ P2RX3 P56373 1/20 0.47
▸ P2RX2 Q9UBL9 1/20 0.47

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
SCHEMBL22569939 0.93 NT5E (0.59) NT5E
SCHEMBL22569892 0.93 NT5E (0.59) NT5E
SCHEMBL22569890 0.88 NT5E (0.59) NT5EDNPH1P2RX3P2RX2
SCHEMBL23042944 0.88 NT5E (0.54) NT5EDNPH1P2RX3P2RX2
SCHEMBL22569921 0.87 NT5E (0.65) NT5E
SCHEMBL23042839 0.85 NT5E (0.57) NT5EDNPH1
SCHEMBL22579752 0.83 NT5E (0.55) NT5E
SCHEMBL24557942 0.83 NT5E (0.49) NT5EDNPH1P2RX3P2RX2
SCHEMBL23042945 0.82 NT5E (0.54) NT5EP2RX3
SCHEMBL24941194 0.82 NT5E (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021040356-A1 C-NUCLEOSIDES, C-NUCLEOTIDES AND THEIR ANALOGS, EQUIVALENTS AND PRODRUGS THEREOF FOR ECTONUCLEOTIDASE INHIBITION KAINOS MEDICINE, INC. (KR) 2021-03-04 — — WO claimed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 — — US disclosed
WO-2021040356-A1 C-NUCLEOSIDES, C-NUCLEOTIDES AND THEIR ANALOGS, EQUIVALENTS AND PRODRUGS THEREOF FOR ECTONUCLEOTIDASE INHIBITION KAINOS MEDICINE, INC. (KR) 2021-03-04 — — WO disclosed
WO-2020211672-A1 CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 — — WO 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-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 NT5E 8/4885DNPH1 1274/4885P2RX3 92/4885

“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.

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