SCHEMBL22843695

SCHEMBL22843695

C/C=C(/COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H](F)[C@@H](O)n1cnc2c(NCc3ccccc3Cl)nc(Cl)nc21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 16/20 0.54
▸ CDK1 P06493 1/20 0.44
▸ ADORA2A P29274 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ PPARD Q03181 1/20 0.40

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
SCHEMBL22843644 0.86 NT5E (0.52) NT5ECDK1
SCHEMBL22843642 0.84 CDK1 (0.56) NT5ECDK1
SCHEMBL22843625 0.83 NT5E (0.52) NT5ECDK1
SCHEMBL22843485 0.82 NT5E (0.47) NT5ECDK1
SCHEMBL22843696 0.82 NT5E (0.53) NT5ECDK1
SCHEMBL22843500 0.82 NT5E (0.51) NT5E
SCHEMBL22843623 0.82 NT5E (0.54) NT5ECDK1ADORA2AADORA3PPARD
SCHEMBL22843546 0.82 NT5E (0.47) NT5E
SCHEMBL22843509 0.81 NT5E (0.47) NT5ECDK1ADORA2AADORA3
SCHEMBL22843541 0.80 NT5E (0.48) 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 4327/4885ADORA2A 11/4885

“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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