SCHEMBL25062889

SCHEMBL25062889

NS(=O)(=O)c1cccc(-c2cn[nH]c2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.53
TTK P33981 6/20 0.53
MAPK8 P45983 1/20 0.53
ILK Q13418 1/20 0.52
ROCK2 O75116 2/20 0.52
ROCK1 Q13464 2/20 0.52
CDK8 P49336 1/20 0.51
CA2 P00918 4/20 0.50
CA1 P00915 3/20 0.50
AKT1 P31749 1/20 0.50
AKT2 P31751 1/20 0.50
CA9 Q16790 3/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA12 O43570 2/20 0.47

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
SCHEMBL19398639 0.84 AKT1 (0.50) LRRK2TTKMAPK8ROCK2AKT1
SCHEMBL21359338 0.80 KDM1A (0.48) ROCK2ROCK1AKT1AKT2
SCHEMBL19406195 0.80 AKT2 (0.53) TTKMAPK8ILKROCK2ROCK1
SCHEMBL30424015 0.78 AKT2 (0.71) ILKROCK2AKT1AKT2
SCHEMBL28032548 0.78 CA2 (0.73) LRRK2TTKCA2CA1CA9
SCHEMBL1926937 0.75 CA2 (0.67) LRRK2TTKCA2CA1CA9
SCHEMBL20597906 0.74 AKT2 (0.59) ILKROCK2ROCK1AKT1AKT2
SCHEMBL980068 0.74 CHEK1 (0.59) ROCK2AKT1AKT2
SCHEMBL14075569 0.73 CA9 (0.70) LRRK2TTKCDK8CA2CA1
SCHEMBL16416958 0.73 CHEK1 (0.58) ROCK2AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2023-02-23 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 (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-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R LRRK2 844/4885TTK 2345/4885MAPK8 2359/4885

“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.