SCHEMBL25429463

SCHEMBL25429463

CC(C)(C)OC(=O)Nc1ccc(OCCN2CCS(=O)(=O)CC2)nn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ BRAF P15056 2/20 0.36
▸ CD274 Q9NZQ7 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ PDGFRB P09619 2/20 0.35
▸ DRD2 P14416 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ RET P07949 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
SCHEMBL30986606 0.86 CD274 (0.48) CD274KDM4EALDH1A1EPHX2
SCHEMBL25317169 0.77 ATR (0.39) GSK3BDYRK1ANAMPTGRIN2BKDM4E
SCHEMBL25426825 0.75 HPGD (0.43) MAPTHPGD
SCHEMBL25316131 0.74 ATR (0.37) GSK3BDYRK1ANAMPTGRIN2BKDM4E
SCHEMBL30508741 0.72 HPGD (0.41) MAPTHPGD
SCHEMBL25318096 0.72 PTGER1 (0.37) GSK3BDYRK1ANAMPTGRIN2BGPR119
SCHEMBL30618379 0.70 DRD2 (0.38) RAF1BRAFDRD2KDM4E
SCHEMBL31737539 0.69 HRH2 (0.44) KDM4EHPGD
SCHEMBL23775680 0.68 DRD2 (0.52) CD274DRD2
SCHEMBL31709687 0.67 NPC1 (0.39) GSK3BDYRK1ANAMPTRAB9A

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 GSK3B 2492/4885DYRK1A 2273/4885RAF1 1364/4885

“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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