SCHEMBL23993743

SCHEMBL23993743

O=c1[nH]cc(-c2cc(N3CCC(F)(F)CC3)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 4/20 0.37
▸ RAF1 P04049 14/20 0.36
▸ BRAF P15056 14/20 0.36
▸ GSK3A P49840 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL23993665 0.95 NT5E (0.36) NT5ERAF1BRAF
SCHEMBL23995128 0.92 NT5E (0.35) NT5ERAF1BRAFGSK3A
SCHEMBL23993895 0.91 NT5E (0.35) NT5ERAF1BRAF
SCHEMBL23993637 0.90 SYK (0.39) NT5ERAF1BRAFMAPTKDM4C
SCHEMBL23994618 0.90 NT5E (0.38) NT5ERAF1BRAF
SCHEMBL23992805 0.89 NT5E (0.35) NT5ERAF1BRAFMAPTKDM4C
SCHEMBL23995181 0.89 NT5E (0.37) NT5ERAF1BRAF
SCHEMBL23994438 0.89 NT5E (0.37) NT5ERAF1BRAF
SCHEMBL23993769 0.89 NT5E (0.35) NT5ERAF1BRAFMAPTKDM4C
SCHEMBL23993609 0.88 MAPT (0.46) NT5ERAF1BRAFMAPTKDM4C

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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