SCHEMBL23993723

SCHEMBL23993723

O=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C(F)(F)F)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 8/20 0.44
▸ RAF1 P04049 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL24514825 1.00 NT5E (0.44) NT5ERAF1ALDH1A1
SCHEMBL23995432 1.00 NT5E (0.44) NT5ERAF1ALDH1A1
SCHEMBL23994333 0.90 NT5E (0.44) NT5ERAF1ALDH1A1
SCHEMBL23993689 0.90 NT5E (0.44) NT5ERAF1ALDH1A1
SCHEMBL23994346 0.88 NT5E (0.46) NT5EALDH1A1
SCHEMBL23993319 0.88 NT5E (0.43) NT5ERAF1
SCHEMBL23995439 0.88 NT5E (0.43) NT5ERAF1
SCHEMBL25004690 0.86 NT5E (0.47) NT5EALDH1A1
SCHEMBL24514858 0.84 NT5E (0.45) NT5EALDH1A1
SCHEMBL23995032 0.84 NT5E (0.43) NT5EALDH1A1

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 5 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-2022121914-A1 OXO-NITROGEN RING DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2022-06-16 — — WO 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 2499/4885ALDH1A1 347/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E NT5E 3/4885RAF1 2556/4885ALDH1A1 138/4885

“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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