SCHEMBL15036052

SCHEMBL15036052

CN1CCC(Nc2ccc(Nc3ncc4cc(-c5c(Cl)cc([SH](C)(=O)C6CC6)cc5Cl)c(=O)n(CC(F)(F)F)c4n3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 4/20 0.51
FGFR1 P11362 9/20 0.48
PKN1 Q16512 3/20 0.47
PAK1 Q13153 3/20 0.47
PAK4 O96013 2/20 0.47
SRC P12931 8/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46
EGFR P00533 4/20 0.46
PDGFRB P09619 7/20 0.46
PDGFRA P16234 7/20 0.46
ABL1 P00519 6/20 0.46
MAPK14 Q16539 6/20 0.46
KIT P10721 4/20 0.46
PAK3 O75914 2/20 0.44
PAK2 Q13177 2/20 0.44
SLC2A1 P11166 1/20 0.42
PKMYT1 Q99640 1/20 0.42

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
SCHEMBL15041675 0.87 WEE1 (0.52) WEE1FGFR1PKN1PAK1PAK4
SCHEMBL15787989 0.76 TNK2 (0.44) WEE1FGFR1PKN1PAK1PAK4
SCHEMBL13553717 0.75 TNK2 (0.44) WEE1FGFR1PKN1PAK1PAK4
SCHEMBL15041498 0.75 PAK1 (0.46) WEE1PKN1PAK1PAK4PAK3
SCHEMBL15041529 0.73 WEE1 (0.41) WEE1FGFR1PKN1PAK1PAK4
SCHEMBL15785364 0.73 PKN1 (0.53) WEE1FGFR1PKN1PAK1PAK4
SCHEMBL14682062 0.72 PAK1 (0.49) WEE1PKN1PAK1PAK4SRC
SCHEMBL13553609 0.71 TNK2 (0.39) WEE1PKN1PAK1PAK4PAK3
SCHEMBL15035996 0.71 TNK2 (0.41) WEE1PKN1PAK1PAK4PAK3
SCHEMBL15036118 0.71 SRC (0.45) WEE1FGFR1PKN1PAK1PAK4

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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 WEE1 545/4885FGFR1 1919/4885PKN1 326/4885

“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.