SCHEMBL15041268

SCHEMBL15041268

CN1CCN(c2ccc(Nc3ncc4cc(-c5nccn5-c5nnco5)c(=O)n(CC5CCOCC5)c4n3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 1/20 0.52
TNK2 Q07912 13/20 0.50
PAK1 Q13153 3/20 0.50
PKN1 Q16512 2/20 0.50
PAK4 O96013 1/20 0.50
FGFR1 P11362 2/20 0.48
SRC P12931 2/20 0.48
FGFR2 P21802 1/20 0.48
FGFR4 P22455 1/20 0.48
FGFR3 P22607 1/20 0.48
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46
PDGFRB P09619 1/20 0.46
SLC2A1 P11166 1/20 0.46
PDGFRA P16234 1/20 0.46
PKMYT1 Q99640 1/20 0.46
PAK3 O75914 2/20 0.46
PAK2 Q13177 2/20 0.46

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
SCHEMBL14682027 0.85 TNK2 (0.49) WEE1TNK2PAK1PKN1PAK4
SCHEMBL15036053 0.77 FGFR4 (0.51) WEE1TNK2PAK1PKN1PAK4
SCHEMBL13553725 0.74 WEE1 (0.49) WEE1TNK2PAK1PKN1PAK4
SCHEMBL14693020 0.74 WEE1 (0.49) WEE1TNK2PAK1PKN1PAK4
SCHEMBL15041775 0.73 WEE1 (0.62) WEE1TNK2PAK1PKN1PAK4
SCHEMBL10192790 0.73 WEE1 (0.77) WEE1TNK2PAK1PKN1PAK4
SCHEMBL13553616 0.73 PAK4 (0.48) WEE1TNK2PKN1PAK4
SCHEMBL15041459 0.73 WEE1 (0.64) WEE1TNK2PAK1PKN1PAK4
SCHEMBL15785360 0.72 WEE1 (0.51) WEE1TNK2PAK1PKN1PAK4
SCHEMBL30019212 0.72 STAT6 (0.62) PAK1PKN1PAK4FGFR1SRC

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 545/4885TNK2 7/4885PAK1 4/4885

“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.