SCHEMBL13052004

SCHEMBL13052004

CCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(OCCCN4C(=O)CN(C)C4=O)cc3n2C2CCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.34
DCLK1 O15075 1/20 0.34
DAPK3 O43293 1/20 0.34
DYRK3 O43781 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
CDK1 P06493 1/20 0.34
ROS1 P08922 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 0.34
MARK3 P27448 1/20 0.34
TYK2 P29597 1/20 0.34
AKT1 P31749 1/20 0.34
KDR P35968 1/20 0.34
CLK2 P49760 1/20 0.34
JAK3 P52333 1/20 0.34
LIMK1 P53667 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
SCHEMBL13052002 0.91 ALDH1A1 (0.35) PLK4DCLK1DAPK3DYRK3JAK2
SCHEMBL12996396 0.89 PGR (0.35) MEN1ALDH1A1LMNAHPGDHTT
SCHEMBL12109065 0.87 ATM (0.39) AURKBMEN1ALDH1A1LMNAHPGD
SCHEMBL10097544 0.86 MEN1 (0.37) PLK4DCLK1DAPK3DYRK3JAK2
SCHEMBL10097541 0.86 MEN1 (0.37) PLK4DCLK1DAPK3DYRK3JAK2
SCHEMBL10097737 0.86 MEN1 (0.37) PLK4DCLK1DAPK3DYRK3JAK2
SCHEMBL10097740 0.86 PLK4 (0.37) PLK4DCLK1DAPK3DYRK3JAK2
SCHEMBL13152486 0.85 PLK4 (0.36) PLK4DCLK1DAPK3DYRK3JAK2
SCHEMBL13153360 0.85 PLK4 (0.39) PLK4DCLK1DAPK3DYRK3JAK2
SCHEMBL13215221 0.84 PLK4 (0.38) PLK4DCLK1DAPK3DYRK3JAK2

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS PLK4 4625/4885DCLK1 3697/4885DAPK3 2241/4885

“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.