SCHEMBL30046653

SCHEMBL30046653

Nc1ncncc1-c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.54
▸ CYP17A1 P05093 1/20 0.53
▸ KDR P35968 2/20 0.48
▸ EPHB4 P54760 2/20 0.48
▸ PIK3CD O00329 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ HCK P08631 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ PIK3CB P42338 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ PRKDC P78527 1/20 0.48
▸ PI4KB Q9UBF8 1/20 0.48
▸ IKBKB O14920 3/20 0.48
▸ CHUK O15111 1/20 0.48
▸ CA1 P00915 5/20 0.47
▸ CA2 P00918 5/20 0.47
▸ CA9 Q16790 4/20 0.46

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
SCHEMBL14555393 0.85 IKBKB (0.46) KDREPHB4PIK3CDABL1EGFR
SCHEMBL20371563 0.82 PIK3CD (0.46) CYP17A1KDREPHB4PIK3CDABL1
SCHEMBL26462963 0.75 PTGES2 (0.68) IKBKBCHUKCA1CA2CA9
SCHEMBL30494473 0.75 PTGES2 (0.68) IKBKBCHUKCA1CA2CA9
SCHEMBL1270834 0.75 KDM4E (0.64) KDM4EKDRABL1EGFRSRC
SCHEMBL28032548 0.72 CA2 (0.73) CA1CA2CA9CA4CA12
SCHEMBL4733938 0.72 CA2 (0.64) IKBKBCA1CA2CA9CA4
SCHEMBL13562424 0.72 MAOA (0.50) IKBKBCHUKCA1CA2CA9
SCHEMBL14075569 0.71 CA9 (0.70) IKBKBCHUKCA1CA2CA9
SCHEMBL21074248 0.71 CDK8 (0.53) KDREPHB4PIK3CDABL1EGFR

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-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2025-05-22 — — US disclosed
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2022-11-08 — — 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 (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-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK KDM4E 515/4885CYP17A1 3863/4885KDR 1059/4885
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK KDM4E 515/4885CYP17A1 3863/4885KDR 1059/4885

“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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