SCHEMBL4724231

SCHEMBL4724231

Nc1ncnc2scc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(C(F)(F)F)c4)c3)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 5/20 0.59
MAP4K4 O95819 5/20 0.59
CDK1 P06493 5/20 0.59
MARK3 P27448 5/20 0.59
AXL P30530 5/20 0.59
MAP4K2 Q12851 5/20 0.59
STK3 Q13188 5/20 0.59
MINK1 Q8N4C8 5/20 0.59
BRSK1 Q8TDC3 5/20 0.59
SLK Q9H2G2 5/20 0.59
MKNK2 Q9HBH9 5/20 0.59
LIMK1 P53667 4/20 0.59
MARK2 Q7KZI7 4/20 0.59
CLK4 Q9HAZ1 4/20 0.59
CSNK1G2 P78368 3/20 0.59
CAMK2G Q13555 3/20 0.59
CAMK2D Q13557 3/20 0.59
MELK Q14680 3/20 0.59
PKN2 Q16513 3/20 0.59
HIPK4 Q8NE63 3/20 0.59

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
SCHEMBL4723212 0.89 PLK4 (0.73) PLK4MAP4K4CDK1MARK3AXL
SCHEMBL5474509 0.89 AURKA (0.63) PLK4MAP4K4CDK1MARK3AXL
SCHEMBL4720107 0.89 MAP4K4 (0.74) PLK4MAP4K4CDK1MARK3AXL
SCHEMBL5472351 0.87 PLK4 (0.78) PLK4MAP4K4CDK1MARK3AXL
SCHEMBL5472205 0.80 MAP4K4 (0.76) PLK4MAP4K4CDK1MARK3AXL
SCHEMBL5474679 0.79 MAP4K4 (0.77) PLK4MAP4K4CDK1MARK3AXL
SCHEMBL4719496 0.79 PLK4 (0.76) PLK4MAP4K4CDK1MARK3AXL
SCHEMBL4721372 0.78 PLK4 (0.89) PLK4MAP4K4CDK1MARK3AXL
SCHEMBL5472182 0.77 STK3 (0.73) PLK4MAP4K4CDK1MARK3AXL
SCHEMBL546405 0.77 AURKA (0.79) PLK4MARK2JAK3EGFRITK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968979-A2 9-MEMBERED HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2008-09-17 EP disclosed
WO-2007067781-A2 9-MEMBERED HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2007-06-14 WO disclosed
US-20070135387-A1 Inhibitors of protein kinases ABBOTT LABORATORIES 2007-06-14 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-20070135387-A1 Inhibitors of protein kinases MAP3K20, PACSIN2, MAP4K2 PLK4 230/4885MAP4K4 31/4885CDK1 46/4885

“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.