SCHEMBL6792235

SCHEMBL6792235

COC(=O)c1c2c(nn1CCCNC(=O)OC(C)(C)C)-c1cc(-c3ccc(N(C)C)cc3)c(OC)cc1CC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.38
SUV39H2 Q9H5I1 2/20 0.35
BRD4 O60885 5/20 0.34
DYRK1A Q13627 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
DRD3 P35462 2/20 0.34
HTR1A P08908 1/20 0.34
DRD4 P21917 1/20 0.34
ABL1 P00519 2/20 0.33
SRC P12931 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FYN P06241 1/20 0.33
PTK6 Q13882 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
SCHEMBL6790801 0.92 DRD2 (0.39) DRD2SUV39H2BRD4DYRK1ACYP11B1
SCHEMBL6794238 0.91 DRD2 (0.41) DRD2SUV39H2BRD4DYRK1ACYP11B1
SCHEMBL6793376 0.88 BRD4 (0.39) DRD2SUV39H2BRD4DYRK1ACYP11B1
SCHEMBL6796413 0.88 DRD2 (0.38) DRD2SUV39H2BRD4DYRK1ACYP11B1
SCHEMBL6791129 0.87 DRD2 (0.40) DRD2BRD4DYRK1ACYP11B1CYP11B2
SCHEMBL6792668 0.86 DRD2 (0.39) DRD2SUV39H2BRD4DRD3
SCHEMBL6792526 0.86 DRD2 (0.39) DRD2SUV39H2BRD4DYRK1ACYP11B1
SCHEMBL6794553 0.85 DRD2 (0.41) DRD2SUV39H2BRD4DYRK1A
SCHEMBL6791820 0.85 DRD2 (0.41) DRD2SUV39H2BRD4CYP11B1CYP11B2
SCHEMBL6791787 0.85 DRD2 (0.38) DRD2BRD4DYRK1ACYP11B1CYP11B2

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 DRD2 4396/4885SUV39H2 3165/4885BRD4 833/4885

“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.