SCHEMBL23994549

SCHEMBL23994549

CC(C)Oc1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 8/20 0.40
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HCRTR2 O43614 1/20 0.31
▸ PDE5A O76074 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ CCNE1 P24864 1/20 0.30

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
SCHEMBL23995312 0.91 NT5E (0.39) NT5EALDH1A1LMNAHCRTR2
SCHEMBL23995328 0.87 NT5E (0.39) NT5EALDH1A1LMNAHCRTR2
SCHEMBL23995402 0.83 NT5E (0.35) NT5EALDH1A1LMNAHCRTR2CDK2
SCHEMBL23993079 0.82 NT5E (0.42) NT5EALDH1A1LMNACDK2CCNE1
SCHEMBL23993094 0.82 NT5E (0.42) NT5EALDH1A1LMNACDK2CCNE1
SCHEMBL23993135 0.82 NT5E (0.36) NT5EALDH1A1LMNAHCRTR2
SCHEMBL23993096 0.81 HCRTR2 (0.35) NT5EALDH1A1HCRTR2
SCHEMBL23994515 0.81 NT5E (0.39) NT5EALDH1A1CDK2CCNT1CCNA2
SCHEMBL23994426 0.79 ALDH1A1 (0.37) NT5EALDH1A1LMNACDK2CCNE1
SCHEMBL23995495 0.78 NT5E (0.37) NT5EALDH1A1LMNACDK2CCNE1

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 347/4885LMNA 3592/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E NT5E 3/4885ALDH1A1 138/4885LMNA 3739/4885

“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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