SCHEMBL22843636

SCHEMBL22843636

C/C=C(/COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O)n1cnc2c(NCc3ccc(C(C)(C)C)cc3)nc(Cl)nc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 11/20 0.46
▸ CDK1 P06493 2/20 0.45
▸ CDK5 Q00535 5/20 0.42
▸ CDK5R1 Q15078 5/20 0.42
▸ CCNE2 O96020 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39

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
SCHEMBL22843642 0.91 CDK1 (0.56) NT5ECDK1CDK5CDK2
SCHEMBL22843611 0.89 CDK1 (0.45) NT5ECDK1CDK5CDK5R1CDK2
SCHEMBL22843632 0.83 NT5E (0.54) NT5ECDK1CDK5CCNE1CDK2
SCHEMBL22843550 0.82 CDK2 (0.46) NT5ECDK1CDK2
SCHEMBL22843544 0.81 NT5E (0.55) NT5ECDK1CDK5CCNE1CDK2
SCHEMBL22843617 0.81 KDM4E (0.46) NT5ECDK1CDK5CCNE1CDK2
SCHEMBL22843525 0.81 NT5E (0.56) NT5ECDK1
SCHEMBL22843561 0.81 NT5E (0.56) NT5ECDK1
SCHEMBL22843638 0.81 NT5E (0.55) NT5ECDK1CDK5CCNE1CDK2
SCHEMBL22843677 0.81 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS ARCUS BIOSCIENCES, INC. 2020-12-31 — — 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-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS NT5C2, ADA, ENTPD1 NT5E 10/4885CDK1 4327/4885CDK5 3403/4885

“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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