SCHEMBL15035378

SCHEMBL15035378

CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5C)c(=O)n(C5C(=O)Cc6ccccc6C5(C)C)c4n3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 5/20 0.45
PAK4 O96013 1/20 0.43
PKN1 Q16512 1/20 0.43
MAP4K1 Q92918 9/20 0.42
JAK2 O60674 2/20 0.41
BRD4 O60885 2/20 0.41
KCNH2 Q12809 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
PLK1 P53350 2/20 0.39
MAP4K3 Q8IVH8 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL15035513 0.82 WEE1 (0.43) WEE1PAK4PKN1MAP4K1JAK2
SCHEMBL15035476 0.82 WEE1 (0.45) WEE1PAK4PKN1MAP4K1JAK2
SCHEMBL15035584 0.81 WEE1 (0.46) WEE1PAK4PKN1MAP4K1JAK2
SCHEMBL15035412 0.79 WEE1 (0.44) WEE1PAK4PKN1MAP4K1JAK2
SCHEMBL15035395 0.78 CDK4 (0.37) WEE1PAK4PKN1JAK2BRD4
SCHEMBL15035401 0.78 PAK4 (0.38) WEE1PAK4PKN1JAK2BRD4
SCHEMBL15035303 0.77 WEE1 (0.44) WEE1PAK4PKN1MAP4K1JAK2
SCHEMBL15035514 0.75 CDK4 (0.54)
SCHEMBL15041313 0.74 CDK4 (0.49) WEE1PAK4PKN1BRD4
SCHEMBL15035543 0.74 CDK4 (0.49) WEE1PAK4PKN1JAK2BRD4

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 WEE1 545/4885PAK4 5/4885PKN1 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.