SCHEMBL23995204

SCHEMBL23995204

O=c1[nH]cc(-c2cc(NC[C@@H](F)c3ccccc3)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 8/20 0.42
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SYK P43405 6/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 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
SCHEMBL23995205 1.00 NT5E (0.42) NT5EALDH1A1MEN1KMT2ASYK
SCHEMBL23995504 0.89 NT5E (0.40) NT5EALDH1A1MEN1KMT2ASYK
SCHEMBL23994610 0.89 NT5E (0.40) NT5EALDH1A1MEN1KMT2ASYK
SCHEMBL23995393 0.89 NT5E (0.40) NT5EALDH1A1MEN1KMT2ASYK
SCHEMBL23994664 0.88 NT5E (0.37) NT5EALDH1A1SYKCYP1A2CYP3A4
SCHEMBL23993490 0.84 KDM4E (0.40) NT5EALDH1A1MEN1KMT2ASYK
SCHEMBL23994694 0.84 NT5E (0.40) NT5EALDH1A1MEN1KMT2ASYK
SCHEMBL23994843 0.82 NT5E (0.35) NT5EALDH1A1MEN1KMT2ASYK
SCHEMBL23994321 0.82 MEN1 (0.54) NT5EALDH1A1MEN1KMT2ASYK
SCHEMBL23993092 0.81 NT5E (0.34) NT5EALDH1A1MEN1KMT2ASYK

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 3/4885ALDH1A1 347/4885MEN1 3132/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E NT5E 3/4885ALDH1A1 138/4885MEN1 3362/4885

“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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