SCHEMBL25255285

SCHEMBL25255285

CC(C)(C)OC(=O)Nc1ccc(-n2cc(Br)c(C#N)n2)nc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.41
TTK P33981 1/20 0.39
EGLN2 Q96KS0 3/20 0.39
NAMPT P43490 1/20 0.38
BCL2 P10415 1/20 0.38
MAPKAPK2 P49137 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
CYP17A1 P05093 1/20 0.35
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL25292306 0.87 AR (0.41) ARTTKEGLN2NAMPTMAPKAPK2
SCHEMBL29399969 0.87 AR (0.41) ARTTKEGLN2NAMPTMAPKAPK2
SCHEMBL24896788 0.85 NAMPT (0.41) NAMPTBCL2MAPKAPK2HDAC3HDAC8
SCHEMBL30919449 0.85 NAMPT (0.41) NAMPTBCL2MAPKAPK2HDAC3HDAC8
SCHEMBL25412929 0.83 AR (0.36) AR
SCHEMBL25255538 0.83 NAMPT (0.39) NAMPTBCL2MAPKAPK2HDAC3HDAC8
SCHEMBL25253508 0.82 MAPKAPK2 (0.41) NAMPTBCL2MAPKAPK2HDAC3HDAC8
SCHEMBL25297826 0.81 AR (0.39) ARTTKEGLN2NAMPTMAPKAPK2
SCHEMBL30362342 0.81 AR (0.39) ARTTKEGLN2NAMPTMAPKAPK2
SCHEMBL30276667 0.73 EGLN1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US disclosed
US-20230234939-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES AS ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 2023-07-27 US disclosed
EP-4208454-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES WITH ANTI-BACTERIAL PROPERTIES F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
EP-4204090-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2023-07-05 EP disclosed
CN-115989225-A Imidazole-pyrazole derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2023-04-18 CN disclosed
CN-115989227-A Imidazole-pyrazole derivatives having antibacterial properties 豪夫迈·罗氏有限公司 2023-04-18 CN disclosed
WO-2022049011-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES WITH ANTI-BACTERIAL PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2022-03-10 WO disclosed
WO-2022043486-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2022-03-03 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 (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-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES CYP3A7, NISCH, ARG1 AR 4037/4885TTK 4455/4885EGLN2 3356/4885
US-20230234939-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES AS ANTIBACTERIALS CYP3A7, NISCH, ARG1 AR 4081/4885TTK 3992/4885EGLN2 3590/4885

“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.