SCHEMBL6797709

SCHEMBL6797709

COc1cc2c(cc1-c1ccc(Cl)cc1)-c1nn(CCCNC(=O)OC(C)(C)C)c(C(=O)O)c1C(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.40
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNG1 Q06432 1/20 0.35
CACNB2 Q08289 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
CACNA1E Q15878 1/20 0.35
CACNA2D4 Q7Z3S7 1/20 0.35
CACNA2D3 Q8IZS8 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
SCHEMBL6791820 0.87 DRD2 (0.41) DRD2BRD4DRD3SUV39H2
SCHEMBL6794238 0.83 DRD2 (0.41) DRD2BRD4DRD3SUV39H2
SCHEMBL6786895 0.83 DYRK1A (0.43) DRD2BRD4
SCHEMBL6791852 0.82 SUV39H2 (0.41) DRD2ABL1SRCBRD4SUV39H2
SCHEMBL6792526 0.80 DRD2 (0.39) DRD2ABL1SRCBRD4DRD3
SCHEMBL6788891 0.79 DRD2 (0.39) DRD2BRD4FAAHDRD3SUV39H2
SCHEMBL6793501 0.79 DRD2 (0.39) DRD2BRD4DRD3
SCHEMBL6793140 0.79 DRD2 (0.38) DRD2ABL1SRCBRD4SUV39H2
SCHEMBL6792678 0.77 BRD4 (0.37) DRD2BRD4SUV39H2
SCHEMBL6792702 0.76 DRD2 (0.42) DRD2BRD4FAAHDRD3SUV39H2

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 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 4396/4885CACNB4 3909/4885CACNA1A 3939/4885

“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.