SCHEMBL6794909

SCHEMBL6794909

NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1cc(N)ccc1-2

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 13/20 0.62
CDK2 P24941 13/20 0.62
CCNA1 P78396 13/20 0.62
IKBKB O14920 2/20 0.62
AURKA O14965 1/20 0.53
PTGS2 P35354 3/20 0.51
PTGS1 P23219 2/20 0.51
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA9 Q16790 3/20 0.42

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
SCHEMBL5334053 0.92 CCNA2 (0.62) CCNA2CDK2CCNA1IKBKBAURKA
Hydrochloric Acid SCHEMBL6800512 0.88 PTGS2 (0.51) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL6791456 0.83 CCNA2 (0.62) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL6663541 0.83 CCNA2 (0.65) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL6789944 0.83 CCNA2 (0.52) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL5347307 0.82 CCNA2 (0.63) CCNA2CDK2CCNA1IKBKBAURKA
Hydrochloric Acid SCHEMBL5340008 0.81 CCNA2 (0.62) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL5258632 0.81 PTGS2 (0.52) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL5342535 0.81 CCNA2 (0.51) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL5335359 0.80 CCNA2 (0.58) CCNA2CDK2CCNA1IKBKBAURKA

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 CCNA2 270/4885CDK2 29/4885CCNA1 527/4885

“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.