SCHEMBL15030440

SCHEMBL15030440

CCN1CCN(c2ccc(Nc3ncc4cc(-c5ccc(Br)cc5Cl)c(=O)n(CC)c4n3)cc2F)CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.72
PKN1 Q16512 4/20 0.72
PAK4 O96013 3/20 0.72
PAK3 O75914 3/20 0.72
PAK2 Q13177 3/20 0.72
LIMK1 P53667 1/20 0.72
LIMK2 P53671 1/20 0.72
WEE1 P30291 1/20 0.51
TNK2 Q07912 9/20 0.48
EGFR P00533 2/20 0.48
FGFR1 P11362 2/20 0.48
JAK3 P52333 2/20 0.47

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
SCHEMBL15035162 0.89 PAK1 (0.70) PAK1PKN1PAK4PAK3PAK2
SCHEMBL14824791 0.88 PAK1 (0.69) PAK1PKN1PAK4PAK3PAK2
SCHEMBL14824760 0.87 PAK1 (0.67) PAK1PKN1PAK4PAK3PAK2
SCHEMBL15030339 0.86 PAK1 (0.72) PAK1PKN1PAK4PAK3PAK2
SCHEMBL10192789 0.84 PAK1 (1.00) PAK1PKN1PAK4PAK3PAK2
SCHEMBL29504158 0.84 PAK1 (1.00) PAK1PKN1PAK4PAK3PAK2
SCHEMBL31110556 0.84 PAK1 (1.00) PAK1PKN1PAK4PAK3PAK2
SCHEMBL15035152 0.83 PAK1 (0.70) PAK1PKN1PAK4PAK3PAK2
SCHEMBL14824794 0.82 PAK1 (0.69) PAK1PKN1PAK4PAK3PAK2
SCHEMBL1680969 0.82 PAK1 (0.85) PAK1PKN1PAK4PAK3PAK2

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 3 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
WO-2013086451-A2 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-13 WO 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 4/4885PKN1 326/4885PAK4 5/4885

“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.