SCHEMBL23925485

SCHEMBL23925485

COC(=O)c1cc(Br)cc2ncn(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 0.43
JAK1 P23458 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 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
SCHEMBL25297236 0.77 ABL1 (0.40) JAK1ALDH1A1TP53
SCHEMBL30198115 0.77 ABL1 (0.40) JAK1ALDH1A1TP53
SCHEMBL16428243 0.77 NQO2 (0.37) JAK1ALDH1A1TP53
SCHEMBL29187958 0.74 ABL1 (0.44) JAK1ALDH1A1TP53
SCHEMBL30159109 0.74 POLB (0.43) JAK1ALDH1A1TP53
SCHEMBL29187908 0.74 POLB (0.43) JAK1ALDH1A1TP53
SCHEMBL30159073 0.74 ABL1 (0.44) JAK1ALDH1A1TP53
SCHEMBL25262955 0.73 ACHE (0.44) OPRK1ALDH1A1
SCHEMBL30258024 0.73 ACHE (0.44) OPRK1ALDH1A1
SCHEMBL23243241 0.73 MAP4K1 (0.46) OPRK1JAK1ALDH1A1TP53

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-20230227411-A1 Benzimidazole Derivatives HOFFMANN-LA ROCHE INC. (US) 2023-07-20 US disclosed
EP-4136078-A1 BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-02-22 EP disclosed
CN-115443268-A Benzimidazole derivatives 豪夫迈·罗氏有限公司 2022-12-06 CN disclosed
WO-2021209485-A1 BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-10-21 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-20230227411-A1 Benzimidazole Derivatives CCNI, CCNB3, CYP3A43 OPRK1 767/4885JAK1 1095/4885ALDH1A1 180/4885

“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.