SCHEMBL6796570

SCHEMBL6796570

CNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1ccc(N)cc1-2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.48
CCNA2 P20248 5/20 0.48
CDK2 P24941 5/20 0.48
CCNA1 P78396 5/20 0.48
PTGS2 P35354 5/20 0.48
PTGS1 P23219 3/20 0.48
AURKA O14965 1/20 0.44
CA2 P00918 4/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 2/20 0.40
RAD52 P43351 1/20 0.39

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
SCHEMBL14558208 0.92 CCNA2 (0.50) IKBKBCCNA2CDK2CCNA1PTGS2
SCHEMBL6789944 0.88 CCNA2 (0.52) IKBKBCCNA2CDK2CCNA1PTGS2
SCHEMBL5334053 0.88 CCNA2 (0.62) IKBKBCCNA2CDK2CCNA1PTGS2
SCHEMBL5254020 0.84 CCNA2 (0.50) IKBKBCCNA2CDK2CCNA1PTGS2
SCHEMBL5347307 0.81 CCNA2 (0.63) IKBKBCCNA2CDK2CCNA1AURKA
Hydrochloric Acid SCHEMBL6800512 0.80 PTGS2 (0.51) IKBKBCCNA2CDK2CCNA1PTGS2
Hydrochloric Acid SCHEMBL5340008 0.80 CCNA2 (0.62) IKBKBCCNA2CDK2CCNA1AURKA
SCHEMBL6794909 0.80 CCNA2 (0.62) IKBKBCCNA2CDK2CCNA1PTGS2
SCHEMBL5342535 0.79 CCNA2 (0.51) IKBKBCCNA2CDK2CCNA1AURKA
SCHEMBL5231062 0.78 CCNA2 (0.78) IKBKBCCNA2CDK2CCNA1

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 IKBKB 634/4885CCNA2 270/4885CDK2 29/4885

“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.