SCHEMBL23994515

SCHEMBL23994515

O=c1[nH]cc(-c2cc(OC3CC3)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 7/20 0.39
▸ ALDH1A1 P00352 1/20 0.32
▸ CCNE1 P24864 3/20 0.32
▸ CDK2 P24941 3/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CDK9 P50750 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
SCHEMBL23992789 0.82 NT5E (0.42) NT5EALDH1A1CCNE1CDK2CCNT1
SCHEMBL23995278 0.82 NT5E (0.35) NT5ECCNE1CDK2CCNT1CDK1
SCHEMBL23994549 0.81 NT5E (0.40) NT5EALDH1A1CCNE1CDK2CCNT1
SCHEMBL23995402 0.80 NT5E (0.35) NT5EALDH1A1CCNE1CDK2
SCHEMBL23993096 0.80 HCRTR2 (0.35) NT5EALDH1A1
SCHEMBL23995061 0.80 NT5E (0.38) NT5EALDH1A1CCNE1CDK2CCNT1
SCHEMBL24514837 0.80 CCNE1 (0.43) NT5EALDH1A1CCNE1CDK2CCNT1
SCHEMBL24514959 0.80 CCNE1 (0.45) NT5EALDH1A1CCNE1CDK2CCNT1
SCHEMBL23995312 0.80 NT5E (0.39) NT5EALDH1A1
SCHEMBL23994426 0.78 ALDH1A1 (0.37) NT5EALDH1A1CCNE1CDK2

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 3 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
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 347/4885CCNE1 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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