SCHEMBL15035111

SCHEMBL15035111

CN1CCC(c2ccc(Nc3ncc4cc(-c5c(Cl)cc(-c6cocn6)cc5Cl)c(=O)n(Cc5nccs5)c4n3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 3/20 0.52
PAK4 O96013 2/20 0.52
WEE1 P30291 4/20 0.48
FGFR1 P11362 6/20 0.46
PAK1 Q13153 3/20 0.45
PAK3 O75914 2/20 0.45
PAK2 Q13177 2/20 0.45
SRC P12931 4/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
EGFR P00533 2/20 0.42
PDGFRB P09619 3/20 0.42
PDGFRA P16234 3/20 0.42
ABL1 P00519 1/20 0.42
KIT P10721 1/20 0.42
MAPK14 Q16539 1/20 0.42
TNK2 Q07912 5/20 0.41
SLC2A1 P11166 1/20 0.40
PKMYT1 Q99640 1/20 0.40

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
SCHEMBL13553736 0.86 PKN1 (0.51) PKN1PAK4WEE1FGFR1PAK1
SCHEMBL15785227 0.80 PKN1 (0.44) PKN1PAK4WEE1FGFR1PAK1
SCHEMBL15785380 0.79 PAK4 (0.49) PKN1PAK4PAK1TNK2
SCHEMBL15787960 0.76 PKN1 (0.51) PKN1PAK4WEE1FGFR1PAK1
SCHEMBL15036054 0.74 PKN1 (0.45) PKN1PAK4WEE1PAK1PAK3
SCHEMBL15785222 0.74 TNK2 (0.44) PKN1PAK4TNK2
SCHEMBL13553931 0.73 PKN1 (0.43) PKN1PAK4PAK1PAK3PAK2
SCHEMBL13553861 0.73 PAK1 (0.49) PKN1PAK4WEE1PAK1PAK3
SCHEMBL15787981 0.72 PKN1 (0.41) PKN1PAK4WEE1FGFR1PAK1
SCHEMBL15041264 0.72 WEE1 (0.41) PKN1PAK4WEE1FGFR1PAK1

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 PKN1 326/4885PAK4 5/4885WEE1 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.