SCHEMBL6793960

SCHEMBL6793960

COc1cc2ccc3c(C(=O)O)n(CCCNC(=O)OC(C)(C)C)nc3c2cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
DRD2 P14416 4/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DYRK1A Q13627 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
SCHEMBL6787521 0.96 AKR1C3 (0.38) BRD4AKR1C3AKR1C2DRD2GABRA1
SCHEMBL6792474 0.94 BRD4 (0.38) BRD4AKR1C3AKR1C2DRD2GABRA1
SCHEMBL6788076 0.90 AKR1C3 (0.37) BRD4AKR1C3AKR1C2DRD2SMN1; SMN2
SCHEMBL6791887 0.83 SUV39H2 (0.42) BRD4DRD2DYRK1APDPK1CCNB2
SCHEMBL6787745 0.81 DRD2 (0.37) BRD4AKR1C3AKR1C2DRD2GABRA1
SCHEMBL6793931 0.78 DYRK1A (0.50) BRD4DRD2NPC1RAB9ADYRK1A
SCHEMBL6786885 0.77 GABRA1 (0.36) AKR1C3AKR1C2GABRA1GABRB2ALDH1A1
SCHEMBL6786904 0.76 BRD4 (0.38) BRD4AKR1C3AKR1C2DRD2GABRA1
SCHEMBL6792605 0.76 AKR1C3 (0.37) BRD4AKR1C3AKR1C2DRD2SMN1; SMN2
SCHEMBL6791684 0.76 MAPT (0.35) AKR1C3AKR1C2GABRA1GABRB2ALDH1A1

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 BRD4 833/4885AKR1C3 2313/4885AKR1C2 1798/4885

“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.