SCHEMBL6788280

SCHEMBL6788280

CCOC(=O)c1cccc(C=Cc2cc3c(cn2)CCc2c-3nn3c2C(=O)NCC3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
JMJD6 Q6NYC1 7/20 0.35
ALOX5 P09917 1/20 0.35
CDK2 P24941 2/20 0.34
PLK4 O00444 1/20 0.34
DAPK3 O43293 1/20 0.34
DYRK3 O43781 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
RPS6KB1 P23443 1/20 0.34
MAPK1 P28482 1/20 0.34
KDR P35968 1/20 0.34
MAPK8 P45983 1/20 0.34
CLK2 P49760 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
DYRK1A Q13627 1/20 0.34
PIM3 Q86V86 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
SCHEMBL6788275 1.00 PARP1 (0.38) PARP1JMJD6ALOX5CDK2PLK4
SCHEMBL6793775 0.92 PARP1 (0.39) PARP1JMJD6CDK2PLK4DAPK3
SCHEMBL6793778 0.92 PARP1 (0.39) PARP1JMJD6CDK2PLK4DAPK3
SCHEMBL6787697 0.88 SRD5A1 (0.35) CDK2PLK4DAPK3DYRK3JAK2
Lithium Ion SCHEMBL6789834 0.87 MAPKAPK2 (0.30) CDK2PLK4DAPK3DYRK3JAK2
Lithium Ion SCHEMBL6789822 0.87 MAPKAPK2 (0.30) CDK2PLK4DAPK3DYRK3JAK2
SCHEMBL6791923 0.83 MAPKAPK2 (0.33) CDK2PLK4DAPK3DYRK3JAK2
SCHEMBL6791922 0.83 MAPKAPK2 (0.33) CDK2PLK4DAPK3DYRK3JAK2
SCHEMBL6795194 0.83 MAPKAPK2 (0.41) CDK2PLK4DAPK3DYRK3JAK2
Trifluoroacetic Acid SCHEMBL6793975 0.83 KEAP1 (0.30)

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 2423/4885JMJD6 2439/4885ALOX5 2319/4885

“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.