SCHEMBL25004541

SCHEMBL25004541

N#Cc1ccc([C@H]2C[C@@H]2c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)nc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 7/20 0.40
▸ JAK2 O60674 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ SYK P43405 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
SCHEMBL30224735 1.00 NT5E (0.40) NT5EJAK2TYK2SYK
SCHEMBL23993775 0.89 NT5E (0.41) NT5EJAK2TYK2SYK
SCHEMBL25005476 0.89 NT5E (0.41) NT5EJAK2TYK2SYK
SCHEMBL25005409 0.89 NT5E (0.41) NT5EJAK2TYK2SYK
SCHEMBL23995102 0.89 NT5E (0.41) NT5EJAK2TYK2SYK
SCHEMBL23993271 0.87 NT5E (0.43) NT5E
SCHEMBL23993080 0.87 NT5E (0.39) NT5E
SCHEMBL30224516 0.87 NT5E (0.39) NT5E
SCHEMBL23994387 0.87 NT5E (0.39) NT5E
SCHEMBL23994673 0.86 NT5E (0.39) NT5ESYK

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E NT5E 3/4885JAK2 1484/4885TYK2 3001/4885

“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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