SCHEMBL15041465

SCHEMBL15041465

CN(c1ccc(Nc2ncc3cc(-c4ccc(-c5cnsc5)cc4Cl)c(=O)n(CC4CC4)c3n2)cc1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 13/20 0.53
STK4 Q13043 3/20 0.48
STK3 Q13188 3/20 0.48
SIK2 Q9H0K1 3/20 0.48
STK26 Q9P289 3/20 0.48
STK24 Q9Y6E0 3/20 0.48
PKN1 Q16512 4/20 0.45
PAK4 O96013 3/20 0.45
PAK2 Q13177 4/20 0.45
PAK3 O75914 3/20 0.45
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
TNK2 Q07912 2/20 0.43
SIK3 Q9Y2K2 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
SCHEMBL14682038 0.91 PAK1 (0.53) PAK1STK4STK3SIK2STK26
SCHEMBL13553760 0.83 PAK1 (0.44) PAK1STK4STK3SIK2STK26
SCHEMBL15785356 0.78 PAK1 (0.49) PAK1STK4STK3SIK2STK26
SCHEMBL15036067 0.76 TNK2 (0.41) PAK1PKN1PAK2PAK3TNK2
SCHEMBL15785218 0.75 TNK2 (0.44) PAK1PKN1PAK4PAK2TNK2
SCHEMBL15787915 0.75 TNK2 (0.43) PAK1PKN1PAK4PAK2TNK2
SCHEMBL15785291 0.73 PAK1 (0.41) PAK1STK4STK3SIK2STK26
SCHEMBL15787934 0.73 PKN1 (0.47) PAK1STK4STK3SIK2STK26
SCHEMBL14824798 0.73 PKN1 (0.65) PAK1STK4STK3SIK2STK26
SCHEMBL12807687 0.72 PKN1 (0.64) PAK1STK4STK3SIK2STK26

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 PAK1 4/4885STK4 272/4885STK3 333/4885

“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.