SCHEMBL15036054

SCHEMBL15036054

CN1CCC(c2ccc(Nc3ncc4cc(-c5nc([S+]([O-])C6CCOCC6)cn5C)c(=O)n(Cc5nccs5)c4n3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 3/20 0.45
PAK4 O96013 2/20 0.45
TNK2 Q07912 12/20 0.39
WEE1 P30291 1/20 0.39
PAK1 Q13153 2/20 0.39
MAP4K1 Q92918 3/20 0.38
PAK3 O75914 1/20 0.38
PAK2 Q13177 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
SCHEMBL15787981 0.78 PKN1 (0.41) PKN1PAK4TNK2WEE1PAK1
SCHEMBL15785380 0.77 PAK4 (0.49) PKN1PAK4TNK2PAK1MAP4K1
SCHEMBL15036097 0.75 PKN1 (0.38) PKN1PAK4TNK2WEE1PAK1
SCHEMBL15041716 0.75 TNK2 (0.42) PKN1PAK4TNK2
SCHEMBL15035111 0.74 PKN1 (0.52) PKN1PAK4TNK2WEE1PAK1
SCHEMBL15785222 0.74 TNK2 (0.44) PKN1PAK4TNK2MAP4K1JAK3
SCHEMBL15041483 0.74 TNK2 (0.42) PKN1PAK4TNK2
SCHEMBL14682002 0.73 TNK2 (0.38) PKN1PAK4TNK2WEE1PAK1
SCHEMBL13553736 0.73 PKN1 (0.51) PKN1PAK4TNK2WEE1PAK1
SCHEMBL15041464 0.73 TNK2 (0.39) PKN1PAK4TNK2WEE1PAK1

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 5/4885TNK2 7/4885

“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.