SCHEMBL25488466

SCHEMBL25488466

CN(Cc1cccc(C(N)=O)c1)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 1/20 0.54
▸ BRD4 O60885 1/20 0.46
▸ BRD3 Q15059 1/20 0.46
▸ PARP1 P09874 6/20 0.46
▸ AOC3 Q16853 2/20 0.46
▸ FOLH1 Q04609 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ IDH1 O75874 1/20 0.43
▸ ROCK2 O75116 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KLK1 P06870 1/20 0.40

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
SCHEMBL22548795 0.84 KMT2A (0.43) MEP1BFOLH1KMT2AMEN1L3MBTL1
SCHEMBL2911625 0.83 MEP1B (0.59) MEP1BBRD4BRD3PARP1AOC3
Hydrochloric Acid SCHEMBL3863131 0.82 MEP1B (0.57) MEP1BBRD4BRD3PARP1AOC3
SCHEMBL8173564 0.79 MEP1B (0.66) MEP1BBRD4BRD3PARP1AOC3
SCHEMBL9917357 0.77 PARP1 (0.52) MEP1BPARP1FOLH1IDH1L3MBTL1
SCHEMBL22844086 0.77 MEP1B (0.59) MEP1BBRD4BRD3PARP1AOC3
SCHEMBL22651797 0.75 HSD17B1 (0.48) —
SCHEMBL3957425 0.75 TSHR (0.58) MEP1BBRD4BRD3KMT2AMEN1
SCHEMBL2108942 0.74 MEP1B (0.59) MEP1BPARP1FOLH1KMT2AMEN1
SCHEMBL45866 0.74 PARP1 (0.57) MEP1BBRD4BRD3PARP1FOLH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 — — US disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 — — US 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 (1 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-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 MEP1B 2179/4885BRD4 1090/4885BRD3 2776/4885

“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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