SCHEMBL23993084

SCHEMBL23993084

O=c1[nH]cc(-c2cc(C3CC3)c3ncc(F)n3n2)c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 10/20 0.39
▸ ALDH1A1 P00352 2/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HBB P68871 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL23994771 0.87 NT5E (0.38) NT5EALDH1A1CCNE1CDK2
SCHEMBL23994974 0.87 NT5E (0.42) NT5EALDH1A1CCNE1CDK2LMNA
SCHEMBL29614190 0.86 NT5E (0.40) NT5E
SCHEMBL28728597 0.83 NT5E (0.58) NT5E
SCHEMBL23993682 0.83 NT5E (0.39) NT5E
SCHEMBL23994357 0.83 NT5E (0.39) NT5EALDH1A1
SCHEMBL24514828 0.83 NT5E (0.58) NT5E
SCHEMBL23994306 0.83 NT5E (0.39) NT5E
SCHEMBL23993799 0.83 NT5E (0.39) NT5E
SCHEMBL23993699 0.83 NT5E (0.39) 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 6 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
WO-2023077030-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-05-04 — — WO 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
CN-115698009-A CD73 inhibiting 2,4-dioxopyrimidine compounds 吉利德科学公司 2023-02-03 — — CN 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 3/4885ALDH1A1 347/4885CCNE1 1173/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E NT5E 3/4885ALDH1A1 138/4885CCNE1 782/4885

“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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