SCHEMBL6793376

SCHEMBL6793376

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.39
DRD2 P14416 5/20 0.37
SIGMAR1 Q99720 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
DYRK1A Q13627 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
SCHEMBL6792678 0.94 BRD4 (0.37) BRD4DRD2SIGMAR1ABCB1ABCG2
SCHEMBL6786904 0.92 BRD4 (0.38) BRD4DRD2
SCHEMBL6790801 0.90 DRD2 (0.39) BRD4DRD2SUV39H2CYP11B1CYP11B2
SCHEMBL6794238 0.90 DRD2 (0.41) BRD4DRD2SUV39H2CYP11B1CYP11B2
SCHEMBL6792235 0.88 DRD2 (0.38) BRD4DRD2MAPTSUV39H2CYP11B1
SCHEMBL6790810 0.88 DRD2 (0.38) BRD4DRD2DYRK1A
SCHEMBL6791870 0.88 SLC6A4 (0.38) BRD4DRD2ABCB1MEN1MAPT
SCHEMBL6796413 0.87 DRD2 (0.38) BRD4DRD2SUV39H2CYP11B1CYP11B2
SCHEMBL6787745 0.87 DRD2 (0.37) BRD4DRD2ABCB1
SCHEMBL6791129 0.85 DRD2 (0.40) BRD4DRD2CYP11B1CYP11B2DYRK1A

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 BRD4 833/4885DRD2 4396/4885SIGMAR1 4084/4885

“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.