SCHEMBL22843668

SCHEMBL22843668

C/C=C(/COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O)n1cnc2c(NCc3ccccc3)nc(N3CCCC3)nc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 5/20 0.56
▸ CDK2 P24941 8/20 0.51
▸ CCNE1 P24864 7/20 0.51
▸ CCNE2 O96020 4/20 0.51
▸ CDK1 P06493 4/20 0.49
▸ CDK5 Q00535 4/20 0.49
▸ CSNK1E P49674 1/20 0.48
▸ CLK1 P49759 1/20 0.48
▸ CLK2 P49760 1/20 0.48
▸ CDK7 P50613 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ CCNA2 P20248 3/20 0.45
▸ CCNA1 P78396 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42

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
SCHEMBL22843560 0.99 NT5E (0.55) NT5ECDK2CCNE1CCNE2CDK1
SCHEMBL22843497 0.94 NT5E (0.51) NT5ECDK2CCNE1CCNE2CDK1
SCHEMBL19370180 0.89 NT5E (0.58) NT5ECDK2CCNE1CCNE2CDK1
SCHEMBL22843632 0.89 NT5E (0.54) NT5ECDK2CCNE1CDK1CDK5
SCHEMBL24078902 0.88 NT5E (0.57) NT5ECDK2CCNE1CCNE2CDK1
SCHEMBL22843642 0.88 CDK1 (0.56) NT5ECDK2CDK1CDK5KDM4E
SCHEMBL22843638 0.87 NT5E (0.55) NT5ECDK2CCNE1CDK1CDK5
SCHEMBL22843617 0.87 KDM4E (0.46) NT5ECDK2CCNE1CDK1CDK5
SCHEMBL22843544 0.87 NT5E (0.55) NT5ECDK2CCNE1CDK1CDK5
SCHEMBL22843693 0.87 NT5E (0.55) NT5ECDK2CCNE1CCNE2CDK1

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 10/4885CDK2 4654/4885CCNE1 4424/4885

“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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