SCHEMBL6791673

SCHEMBL6791673

COc1ccc2c(c1)c(C)cc1c(C(=O)O)n(CCCNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.51
BRD4 O60885 14/20 0.44
PTGS2 P35354 1/20 0.39
DRD2 P14416 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6791840 0.93 DYRK1A (0.51) DYRK1ABRD4PTGS2DRD2KDM4E
SCHEMBL6793931 0.87 DYRK1A (0.50) DYRK1ABRD4DRD2KDM4ENPC1
SCHEMBL6791887 0.77 SUV39H2 (0.42) DYRK1ABRD4DRD2
SCHEMBL31357648 0.74 BCHE (0.46) BRD4DRD2NPC1RAB9A
SCHEMBL6786895 0.73 DYRK1A (0.43) DYRK1ABRD4DRD2KDM4ENPC1
SCHEMBL6794270 0.72 DYRK1A (0.42) DYRK1ABRD4DRD2KDM4ENPC1
SCHEMBL4712902 0.72 GABRP (0.47) DYRK1ABRD4DRD2NPC1RAB9A
SCHEMBL26696082 0.71 BRD4 (0.47) DYRK1ABRD4PTGS2DRD2KDM4E
SCHEMBL6793960 0.70 BRD4 (0.38) DYRK1ABRD4DRD2NPC1RAB9A
SCHEMBL4712740 0.70 DYRK1A (0.45) DYRK1ABRD4DRD2

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 DYRK1A 754/4885BRD4 833/4885PTGS2 478/4885

“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.