SCHEMBL22866503

SCHEMBL22866503

CO[C@H](COP(=O)(CP(=O)(Oc1cccc(Cl)c1)Oc1cccc(Cl)c1)Oc1cccc(Cl)c1)[C@@H](O)[C@@H](O)n1cnc2c(N(C)C3CCCC3)nc(Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 5/20 0.42
▸ CCNE2 O96020 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CDK1 P06493 1/20 0.30

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
SCHEMBL21450326 0.93 NT5E (0.44) NT5ECCNE2CCNE1CDK2ADORA3
SCHEMBL21450327 0.91 NT5E (0.42) NT5ECCNE2CCNE1CDK2CDK1
SCHEMBL19370264 0.88 NT5E (0.42) NT5EADORA3TP53
SCHEMBL19370346 0.85 NT5E (0.41) NT5ECCNE2CCNE1CDK2CDK1
SCHEMBL19370330 0.79 NT5E (0.42) NT5ECDK1
SCHEMBL19349798 0.77 NT5E (0.69) NT5EADORA3
SCHEMBL24078851 0.76 NT5E (0.49) NT5EADORA3
SCHEMBL21450282 0.73 NT5E (0.41) NT5ECDK1
SCHEMBL19100848 0.73 NT5E (0.71) NT5EADORA3
SCHEMBL22843467 0.72 NT5E (0.55) NT5ECCNE2CCNE1CDK2

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-11001603-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ARCUS BIOSCIENCES, INC. (US) 2021-05-11 — — US disclosed
US-20210002322-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ARCUS BIOSCIENCES, INC. 2021-01-07 — — 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-11001603-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ENTPD5, NT5C2, NT5E NT5E 3/4885CCNE2 4852/4885CCNE1 4743/4885
US-20210002322-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ENTPD5, NT5C2, NT5E NT5E 3/4885CCNE2 4854/4885CCNE1 4743/4885

“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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