SCHEMBL23994618

SCHEMBL23994618

O=c1[nH]cc(-c2cc(N3CC(F)(F)C3)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 7/20 0.38
▸ RAF1 P04049 12/20 0.34
▸ BRAF P15056 12/20 0.34
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL23993772 0.94 NT5E (0.38) NT5ERAF1BRAFALDH1A1
SCHEMBL23993665 0.93 NT5E (0.36) NT5ERAF1BRAF
SCHEMBL23993036 0.91 NT5E (0.36) NT5ERAF1BRAF
SCHEMBL23993769 0.91 NT5E (0.35) NT5ERAF1BRAF
SCHEMBL23995015 0.91 NT5E (0.36) NT5ERAF1BRAF
SCHEMBL23994965 0.90 NT5E (0.36) NT5ERAF1BRAF
SCHEMBL23993784 0.90 NT5E (0.36) NT5ERAF1BRAF
SCHEMBL23993743 0.90 NT5E (0.37) NT5ERAF1BRAF
SCHEMBL23993701 0.89 NT5E (0.38) NT5ERAF1BRAF
SCHEMBL23995111 0.88 NT5E (0.35) NT5ERAF1BRAFALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 — — US disclosed
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 — — EP disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO 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 (2 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 3/4885RAF1 2499/4885BRAF 1019/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E NT5E 3/4885RAF1 2556/4885BRAF 1298/4885

“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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