SCHEMBL6792359

SCHEMBL6792359

CCOC(=O)c1c2c(nn1CCCNC(=O)OC(C)(C)C)-c1c(SC)nn(S(=O)(=O)c3ccc(C)cc3)c1CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
CA12 O43570 4/20 0.33
CA9 Q16790 4/20 0.33
BRD4 O60885 2/20 0.32
DYRK1A Q13627 1/20 0.32
MERTK Q12866 1/20 0.32
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL6792338 0.91 CCNC (0.33) CCNCCDK8MAPTKDM4ENPSR1
SCHEMBL6795955 0.74 AURKA (0.43) KDM4ENPSR1CA12CA9L3MBTL1
SCHEMBL6793980 0.72 LATS1 (0.37) MAPTKDM4ENPSR1BRD4DYRK1A
SCHEMBL6793625 0.72 IDO1 (0.39) MAPTKDM4ENPSR1BRD4POLB
SCHEMBL4154678 0.70 CDK4 (0.37) MAPTKDM4ENPSR1BRD4DYRK1A
SCHEMBL4148130 0.69 CDK2 (0.57)
SCHEMBL6787540 0.69 DRD2 (0.39) MAPTKDM4ENPSR1BRD4DYRK1A
SCHEMBL6791964 0.68 KDM4E (0.35) MAPTKDM4ENPSR1BRD4
SCHEMBL5228886 0.67 CCNA2 (0.38) MAPTKDM4ENPSR1BRD4TP53
SCHEMBL6794857 0.67 CYP11B1 (0.38) MAPTKDM4ENPSR1TSHR

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 181/4885MAPT 3143/4885

“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.