SCHEMBL6799237

SCHEMBL6799237

COC(=O)c1c2c(nn1CCCNC(=O)OC(C)(C)C)-c1ccc(OC)cc1CS2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
BRD4 O60885 7/20 0.40
DRD2 P14416 4/20 0.38
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6790815 0.85 DYRK1A (0.46) DYRK1ABRD4DRD2KDM4ERAB9A
SCHEMBL6787565 0.85 DYRK1A (0.46) DYRK1ABRD4DRD2KDM4ERAB9A
SCHEMBL6792567 0.82 DYRK1A (0.46) DYRK1ABRD4DRD2KDM4ERAB9A
SCHEMBL6786895 0.81 DYRK1A (0.43) DYRK1ABRD4DRD2KDM4ERAB9A
SCHEMBL6788627 0.80 DYRK1A (0.46) DYRK1ABRD4DRD2KDM4ERAB9A
SCHEMBL6790517 0.77 DYRK1A (0.46) DYRK1ABRD4DRD2KDM4ERAB9A
SCHEMBL6794270 0.73 DYRK1A (0.42) DYRK1ABRD4DRD2KDM4ERAB9A
SCHEMBL6791840 0.72 DYRK1A (0.51) DYRK1ABRD4DRD2KDM4ERAB9A
SCHEMBL6799241 0.71 DYRK1A (0.40) DYRK1ABRD4DRD2KDM4ERAB9A
SCHEMBL26696082 0.71 BRD4 (0.47) DYRK1ABRD4DRD2KDM4ERAB9A

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 833/4885DRD2 4396/4885

“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.