SCHEMBL30394641

SCHEMBL30394641

C[C@@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 1.00

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
SCHEMBL21839825 1.00 NT5E (1.00) NT5E
SCHEMBL30394472 1.00 NT5E (1.00) NT5E
SCHEMBL21883337 1.00 NT5E (1.00) NT5E
SCHEMBL21839594 1.00 NT5E (1.00) NT5E
SCHEMBL21839596 1.00 NT5E (1.00) NT5E
SCHEMBL23915632 0.95 NT5E (0.90) NT5E
SCHEMBL22206585 0.90 NT5E (0.81) NT5E
SCHEMBL22215095 0.90 NT5E (0.81) NT5E
SCHEMBL21839830 0.90 NT5E (1.00) NT5E
SCHEMBL21839558 0.89 NT5E (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240285665-A1 INHIBITORS OF ADENOSINE 5'-NUCLEOTIDASE ARCUS BIOSCIENCES, INC. 2024-08-29 US disclosed
US-11591355-B2 CD73 inhibitors and uses thereof PELOTON THERAPEUTICS INC. (US) 2023-02-28 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 (2 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-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 NT5E 5/4885
US-20240285665-A1 INHIBITORS OF ADENOSINE 5'-NUCLEOTIDASE ENTPD5, NT5C2, ENTPD1 NT5E 4/4885

“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.