SCHEMBL25317169

SCHEMBL25317169

COCCOc1ccc(NC(=O)OC(C)(C)C)nn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GLS O94925 1/20 0.34
▸ HCAR3 P49019 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL25316131 0.96 ATR (0.37) ATRACACBBRD4CYP17A1HDAC1
SCHEMBL25318096 0.81 PTGER1 (0.37) ATRCYP17A1HDAC1GSK3BDYRK1A
SCHEMBL2645197 0.80 GSK3B (0.38) ATRCYP17A1HDAC1GSK3BDYRK1A
SCHEMBL30986606 0.78 CD274 (0.48) BRD4KDM4EKMT2A
SCHEMBL25429463 0.77 GSK3B (0.36) GSK3BDYRK1ANAMPTKDM4EGRIN2B
SCHEMBL21016508 0.76 NCF1 (0.38) ACACBHCAR3
SCHEMBL26842138 0.75 LMNA (0.40) ATRCYP17A1HDAC1GSK3BDYRK1A
SCHEMBL30672455 0.74 LMNA (0.42) ATRBRD4CYP17A1GSK3BDYRK1A
SCHEMBL15202941 0.74 LMNA (0.53) ATRCYP17A1GSK3BDYRK1ANAMPT
SCHEMBL29442854 0.74 LMNA (0.53) ATRCYP17A1GSK3BDYRK1ANAMPT

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
EP-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 — — EP disclosed
US-20240383875-A1 Benzimidazole Pyridine Derivatives HOFFMANN-LA ROCHE INC. (US) 2024-11-21 — — US disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 — — 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 (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-20240383875-A1 Benzimidazole Pyridine Derivatives H1-3, H1-2, H1-4 ATR 1428/4885ACACB 2330/4885BRD4 17/4885

“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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