SCHEMBL15041280

SCHEMBL15041280

CC(=O)N1CCC(c2ncc(-c3cc4cnc(Nc5ccc(C6CCN(C)C6)cc5)nc4n(CC4CC4)c3=O)c(C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.46
PKN1 Q16512 2/20 0.46
JAK3 P52333 2/20 0.46
BTK Q06187 1/20 0.44
TNK2 Q07912 11/20 0.42
JAK2 O60674 2/20 0.42
BRD4 O60885 2/20 0.42
AXL P30530 1/20 0.42
SYK P43405 1/20 0.41
PAK1 Q13153 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
SCHEMBL13553741 0.94 PAK4 (0.46) PAK4PKN1JAK3TNK2PAK1
SCHEMBL14682011 0.85 PAK4 (0.47) PAK4PKN1JAK3TNK2PAK1
SCHEMBL15785286 0.82 PAK4 (0.48) PAK4PKN1JAK3TNK2PAK1
SCHEMBL14693017 0.77 JAK3 (0.46) PAK4PKN1JAK3TNK2PAK1
SCHEMBL16309182 0.77 PAK4 (0.48) PAK4PKN1JAK3TNK2PAK1
SCHEMBL13553493 0.76 PAK4 (0.42) PAK4PKN1JAK3BTKTNK2
SCHEMBL13553688 0.74 JAK3 (0.42) PAK4PKN1JAK3TNK2PAK1
SCHEMBL15787917 0.74 PAK1 (0.46) PAK4PKN1TNK2PAK1
SCHEMBL14682082 0.74 JAK3 (0.47) PAK4PKN1JAK3BTKTNK2
SCHEMBL15036057 0.73 TNK2 (0.47) PAK4PKN1JAK3TNK2JAK2

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 PAK4 5/4885PKN1 326/4885JAK3 1901/4885

“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.