SCHEMBL22843677

SCHEMBL22843677

C/C=C(/COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O)n1cnc2c(NC3CCCC3)nc(Cl)nc21

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 15/20 0.54
▸ ADORA3 P0DMS8 3/20 0.44
▸ ADORA2A P29274 3/20 0.44
▸ ADORA1 P30542 3/20 0.44

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
SCHEMBL22843697 0.87 NT5E (0.52) NT5EADORA3ADORA2AADORA1
SCHEMBL22843467 0.85 NT5E (0.55) NT5E
SCHEMBL22843642 0.84 CDK1 (0.56) NT5E
SCHEMBL22843536 0.84 NT5E (0.54) NT5E
SCHEMBL22843556 0.83 NT5E (0.51) NT5EADORA3ADORA2AADORA1
SCHEMBL22843561 0.83 NT5E (0.56) NT5E
SCHEMBL22843525 0.83 NT5E (0.56) NT5E
SCHEMBL22843518 0.83 NT5E (0.45) NT5EADORA2A
SCHEMBL22843455 0.82 NT5E (0.50) NT5EADORA3ADORA2AADORA1
SCHEMBL24078864 0.82 NT5E (0.51) NT5EADORA3ADORA2AADORA1

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 10/4885ADORA3 19/4885ADORA2A 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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