SCHEMBL6791129

SCHEMBL6791129

COC(=O)c1cccc(-c2cc3c(cc2OC)CCc2c-3nn(CCCNC(=O)OC(C)(C)C)c2C(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.40
BRD4 O60885 3/20 0.37
FAAH O00519 4/20 0.36
DRD3 P35462 4/20 0.36
PDE4D Q08499 2/20 0.35
DGAT2 Q96PD7 1/20 0.34
SUCNR1 Q9BXA5 1/20 0.34
DYRK1A Q13627 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDPK1 O15530 1/20 0.34
CCNB2 O95067 1/20 0.34
PRKCB P05771 1/20 0.34
CDK1 P06493 1/20 0.34
LYN P07948 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
RPS6KA3 P51812 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
SCHEMBL6792668 0.92 DRD2 (0.39) DRD2BRD4FAAHDRD3PDPK1
SCHEMBL6794841 0.91 DRD2 (0.40) DRD2BRD4FAAHDRD3PDE4D
SCHEMBL6791787 0.91 DRD2 (0.38) DRD2BRD4DRD3DGAT2DYRK1A
SCHEMBL6793730 0.90 DRD2 (0.38) DRD2BRD4DRD3DYRK1ACYP11B1
SCHEMBL6794415 0.90 DRD2 (0.38) DRD2BRD4DRD3PDE4DCYP11B1
SCHEMBL6786904 0.89 BRD4 (0.38) DRD2BRD4
SCHEMBL6790801 0.89 DRD2 (0.39) DRD2BRD4DRD3DYRK1ACYP11B1
SCHEMBL6796413 0.88 DRD2 (0.38) DRD2BRD4DYRK1ACYP11B1CYP11B2
SCHEMBL6794238 0.88 DRD2 (0.41) DRD2BRD4DRD3DYRK1ACYP11B1
SCHEMBL6792235 0.87 DRD2 (0.38) DRD2BRD4DRD3DYRK1ACYP11B1

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 4396/4885BRD4 833/4885FAAH 3141/4885

“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.