SCHEMBL6792338

SCHEMBL6792338

C=CCSc1nn(S(=O)(=O)c2ccc(C)cc2)c2c1-c1nn(CCCNC(=O)OC(C)(C)C)c(C(=O)OCC)c1CC2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MERTK Q12866 1/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA12 O43570 2/20 0.30
CA9 Q16790 2/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL6792359 0.91 CCNC (0.35) CCNCCDK8KDM4EMAPTNPSR1
SCHEMBL6794171 0.87 CA12 (0.31) CA12CA9
SCHEMBL6791940 0.76 AURKA (0.40) KDM4ENPSR1
SCHEMBL6793625 0.70 IDO1 (0.39) KDM4EMAPTNPSR1BRD4
SCHEMBL6793980 0.69 LATS1 (0.37) KDM4EMAPTNPSR1BRD4
SCHEMBL4154678 0.67 CDK4 (0.37) KDM4EMAPTNPSR1BRD4
SCHEMBL4148130 0.66 CDK2 (0.57)
SCHEMBL6787540 0.66 DRD2 (0.39) KDM4EMAPTNPSR1BRD4
SCHEMBL6791964 0.65 KDM4E (0.35) KDM4EMAPTNPSR1BRD4
SCHEMBL6795955 0.65 AURKA (0.43) KDM4ENPSR1CA12CA9

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 2 patents. 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 claimed
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 CCNC 291/4885CDK8 181/4885KDM4E 2167/4885

“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.