SCHEMBL23994251

SCHEMBL23994251

CN(Cc1ccccc1)c1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ APOBEC3A P31941 1/20 0.37
▸ NT5E P21589 2/20 0.37
▸ FABP4 P15090 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CDK2 P24941 2/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ PDE9A O76083 2/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ HIPK2 Q9H2X6 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ MAT2A P31153 1/20 0.34

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
SCHEMBL23995495 0.85 NT5E (0.37) ALDH1A1NT5ECDK2CCNE1PARP1
SCHEMBL23993650 0.81 DPYD (0.42) ALDH1A1NT5ECDK2CCNE1
SCHEMBL23994547 0.80 DPYD (0.43) ALDH1A1NT5ECDK2CCNE1FAAH
SCHEMBL23993490 0.80 KDM4E (0.40) IP6K1ALDH1A1NT5EHSD17B10CDK2
SCHEMBL23994443 0.78 FAAH (0.38) ALDH1A1NT5ECDK2CCNE1GSK3B
SCHEMBL23993707 0.78 DPYD (0.41) ALDH1A1NT5ECDK2CCNE1CDC7
SCHEMBL23994941 0.78 NT5E (0.38) ALDH1A1NT5ECDK2CCNE1ROCK2
SCHEMBL23994321 0.77 MEN1 (0.54) ALDH1A1NT5ECDK2CDC7FAAH
SCHEMBL23994624 0.76 ALDH1A1 (0.37) ALDH1A1NT5ECDK2CCNE1
SCHEMBL30224587 0.76 NT5E (0.39) ALDH1A1NT5ECDK2CCNE1CDC7

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 IP6K1 1406/4885ALDH1A1 347/4885APOBEC3A 356/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E IP6K1 1834/4885ALDH1A1 138/4885APOBEC3A 506/4885

“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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