SCHEMBL6793778

SCHEMBL6793778

CCOC(=O)c1ccc(C=Cc2cc3c(cn2)CCc2c-3nn3c2C(=O)NCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
CDK2 P24941 3/20 0.35
PLK4 O00444 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MAPK1 P28482 1/20 0.35
KDR P35968 1/20 0.35
MAPK8 P45983 1/20 0.35
CLK2 P49760 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
DYRK1A Q13627 1/20 0.35
PIM3 Q86V86 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
AURKB Q96GD4 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
SCHEMBL6793775 1.00 PARP1 (0.39) PARP1CDK2PLK4DAPK3DYRK3
SCHEMBL6788275 0.92 PARP1 (0.38) PARP1CDK2PLK4DAPK3DYRK3
SCHEMBL6788280 0.92 PARP1 (0.38) PARP1CDK2PLK4DAPK3DYRK3
SCHEMBL6791723 0.88 SRD5A1 (0.34) CDK2PLK4DAPK3DYRK3JAK2
SCHEMBL6791727 0.88 SRD5A1 (0.34) CDK2PLK4DAPK3DYRK3JAK2
SCHEMBL6797263 0.87 MAPKAPK2 (0.32) PARP1CDK2PLK4DAPK3DYRK3
Hydrochloric Acid SCHEMBL6792330 0.86 MAPKAPK2 (0.32) PARP1CDK2PLK4DAPK3DYRK3
Hydrochloric Acid SCHEMBL6792337 0.86 MAPKAPK2 (0.32) PARP1CDK2PLK4DAPK3DYRK3
SCHEMBL4267623 0.84 MAPKAPK2 (0.41) GSK3BL3MBTL1LMNAALDH1A1GAA
SCHEMBL6792648 0.83 CSNK1A1 (0.36) PARP1CDK2PLK4DAPK3DYRK3

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 PARP1 2423/4885CDK2 29/4885PLK4 419/4885

“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.