SCHEMBL6791820

SCHEMBL6791820

COc1cc2c(cc1-c1ccc(Cl)cc1)-c1nn(CCCNC(=O)OC(C)(C)C)c(C(=O)O)c1CC2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.41
SUV39H2 Q9H5I1 4/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
BRD4 O60885 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL6794238 0.94 DRD2 (0.41) DRD2SUV39H2FNTAFNTBDRD1
SCHEMBL6792526 0.93 DRD2 (0.39) DRD2SUV39H2DRD4DRD3BRD4
SCHEMBL6788891 0.92 DRD2 (0.39) DRD2SUV39H2FNTAFNTBDRD3
SCHEMBL6793501 0.92 DRD2 (0.39) DRD2DRD4DRD3BRD4CYP11B1
SCHEMBL6793140 0.91 DRD2 (0.38) DRD2SUV39H2BRD4CYP11B1CYP11B2
SCHEMBL6792678 0.90 BRD4 (0.37) DRD2SUV39H2BRD4CYP11B1CYP11B2
SCHEMBL6792702 0.89 DRD2 (0.42) DRD2SUV39H2DRD3BRD4
SCHEMBL6787678 0.88 DRD2 (0.39) DRD2FNTAFNTBDRD1DRD4
SCHEMBL6794841 0.88 DRD2 (0.40) DRD2DRD3BRD4CYP11B1CYP11B2
SCHEMBL6797709 0.87 DRD2 (0.40) DRD2SUV39H2DRD3BRD4

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 4396/4885SUV39H2 3165/4885FNTA 2400/4885

“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.