SCHEMBL22215049

SCHEMBL22215049

CN(c1nc(Cl)nc2c1ncn2C1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O)C1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.80
CD79B P40259 1/20 0.60

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
SCHEMBL21839508 1.00 NT5E (0.80) NT5ECD79B
SCHEMBL21882835 1.00 NT5E (0.80) NT5ECD79B
SCHEMBL22206534 0.93 NT5E (0.81) NT5E
SCHEMBL19100689 0.89 NT5E (1.00) NT5E
SCHEMBL19366690 0.89 NT5E (1.00) NT5E
SCHEMBL23345957 0.88 NT5E (0.76) NT5ECD79B
SCHEMBL26283322 0.88 NT5E (0.76) NT5ECD79B
SCHEMBL23345956 0.88 NT5E (0.76) NT5ECD79B
SCHEMBL23345568 0.85 NT5E (0.78) NT5E
SCHEMBL23345570 0.85 NT5E (0.78) 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-11058704-B2 Inhibitors of adenosine 5′-nucleotidase ARCUS BIOSCIENCES, INC. (US) 2021-07-13 US disclosed
US-20200222441-A1 INHIBITORS OF ADENOSINE 5'-NUCLEOTIDASE ARCUS BIOSCIENCES, INC. 2020-07-16 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 (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-11058704-B2 Inhibitors of adenosine 5′-nucleotidase ENTPD5, NT5C2, ENTPD1 NT5E 4/4885CD79B 2427/4885
US-20200222441-A1 INHIBITORS OF ADENOSINE 5'-NUCLEOTIDASE ENTPD5, NT5C2, ENTPD1 NT5E 4/4885CD79B 2525/4885

“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.