SCHEMBL15036038

SCHEMBL15036038

CN1CCC([S+]([O-])c2cc(Cl)c(-c3cc4cnc(Nc5ccc(C6CCCN(C)C6)cc5)nc4n(CC(=O)N4CCCC4)c3=O)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.47
PKN1 Q16512 2/20 0.47
WEE1 P30291 2/20 0.45
SRC P12931 4/20 0.44
ABL1 P00519 3/20 0.44
PDGFRB P09619 3/20 0.44
PDGFRA P16234 3/20 0.44
MAPK14 Q16539 3/20 0.44
KIT P10721 1/20 0.44
JAK3 P52333 2/20 0.43
TNK2 Q07912 4/20 0.42
PAK1 Q13153 1/20 0.42
FGFR1 P11362 7/20 0.42
FGFR2 P21802 2/20 0.41
FGFR4 P22455 2/20 0.41
FGFR3 P22607 2/20 0.41
EGFR P00533 4/20 0.41

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
SCHEMBL15281616 0.87 WEE1 (0.46) PAK4PKN1WEE1SRCABL1
SCHEMBL14682011 0.81 PAK4 (0.47) PAK4PKN1WEE1JAK3TNK2
SCHEMBL13553709 0.81 PKN1 (0.57) PAK4PKN1WEE1SRCABL1
SCHEMBL14693017 0.81 JAK3 (0.46) PAK4PKN1WEE1SRCPDGFRB
SCHEMBL15041484 0.80 FGFR1 (0.44) WEE1SRCABL1PDGFRBPDGFRA
SCHEMBL15785286 0.80 PAK4 (0.48) PAK4PKN1WEE1JAK3TNK2
SCHEMBL15785313 0.80 FGFR1 (0.46) WEE1SRCABL1PDGFRBPDGFRA
SCHEMBL15036118 0.79 SRC (0.45) PAK4PKN1WEE1SRCABL1
SCHEMBL13553624 0.77 JAK3 (0.44) PAK4PKN1WEE1SRCABL1
SCHEMBL15036133 0.77 TNK2 (0.43) PAK4PKN1TNK2

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 2 patents. 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
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 PAK4 5/4885PKN1 326/4885WEE1 545/4885

“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.