SCHEMBL6794635

SCHEMBL6794635

COc1cc2c(cc1-c1cccc(S(C)(=O)=O)c1)-c1nn(CCCNC(=O)OC(C)(C)C)c(C(=O)O)c1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.38
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
BRD4 O60885 3/20 0.33
NAMPT P43490 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDPK1 O15530 1/20 0.33
CCNB2 O95067 1/20 0.33
PRKCB P05771 1/20 0.33
CDK1 P06493 1/20 0.33
LYN P07948 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
RPS6KA3 P51812 1/20 0.33
CCNA1 P78396 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL6793730 0.94 DRD2 (0.38) DRD2CA1CA2BRD4NAMPT
SCHEMBL6794841 0.90 DRD2 (0.40) DRD2BRD4CYP11B1CYP11B2DRD3
SCHEMBL6788891 0.89 DRD2 (0.39) DRD2BRD4PDPK1CCNB2PRKCB
SCHEMBL6800434 0.88 DRD2 (0.38) DRD2BRD4CYP11B1CYP11B2PDPK1
SCHEMBL6788074 0.88 DRD2 (0.38) DRD2CYP11B1CYP11B2DRD3
SCHEMBL6787745 0.87 DRD2 (0.37) DRD2BRD4
SCHEMBL6793501 0.86 DRD2 (0.39) DRD2BRD4CYP11B1CYP11B2PDPK1
SCHEMBL6792526 0.86 DRD2 (0.39) DRD2BRD4CYP11B1CYP11B2PDPK1
SCHEMBL6793140 0.86 DRD2 (0.38) DRD2BRD4CYP11B1CYP11B2PDPK1
SCHEMBL6791820 0.86 DRD2 (0.41) DRD2BRD4CYP11B1CYP11B2DRD3

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 DRD2 4396/4885CA1 3236/4885CA2 1379/4885

“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.