SCHEMBL6794424

SCHEMBL6794424

CCOC(=O)c1c2c(nn1CCC(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1)-c1ccncc1CC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.41
ADORA1 P30542 1/20 0.38
KLK7 P49862 2/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
SCN9A Q15858 2/20 0.35
SYK P43405 1/20 0.35
PPARA Q07869 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK6 Q00534 1/20 0.35
KLK5 Q9Y337 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL6792409 0.72 TEAD2 (0.38) CDK4CCNA2CDK2CCND3CCNA1
Trifluoroacetic Acid SCHEMBL6792793 0.72 CDK2 (0.37) ROCK2CDK4CCNA2CDK2CCND3
SCHEMBL6791186 0.70 BRAF (0.36) ROCK2CDK4CCNA2CDK2CCND3
SCHEMBL6792783 0.69 CDK4 (0.35) ROCK2CDK4CCNA2CDK2CCND3
SCHEMBL6786987 0.69 ELANE (0.36) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6791848 0.69 BRAF (0.37) ROCK2CDK4CCNA2CDK2CCND3
SCHEMBL12873003 0.68 PPARA (0.57) SYKPPARACTSSCTSK
SCHEMBL3881683 0.68 CTSS (0.65) KLK7SYKPPARAKLK5CTSS
SCHEMBL12203688 0.68 PPARA (0.57) SYKPPARACTSSCTSK
SCHEMBL8696309 0.68 CTSS (0.65) KLK7SYKPPARAKLK5CTSS

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 claimed

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 ROCK2 317/4885ADORA1 3050/4885KLK7 948/4885

“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.