SCHEMBL15035259

SCHEMBL15035259

Cc1ccc(-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(C3Cc4ccccc4N(C)C3)c2=O)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 1/20 0.42
PKN1 Q16512 1/20 0.42
PAK1 Q13153 1/20 0.42
PAK2 Q13177 1/20 0.42
RIPK2 O43353 1/20 0.42
NOD2 Q9HC29 1/20 0.42
TNK2 Q07912 3/20 0.41

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
SCHEMBL15035261 0.89 PAK1 (0.43) PAK4PKN1PAK1PAK2RIPK2
SCHEMBL15035254 0.88 PAK1 (0.42) PAK4PKN1PAK1PAK2RIPK2
SCHEMBL15035256 0.88 PAK1 (0.42) PAK4PKN1PAK1PAK2RIPK2
SCHEMBL15035580 0.83
SCHEMBL15035279 0.83 PAK1 (0.56) PAK4PKN1PAK1PAK2RIPK2
SCHEMBL15035252 0.81 PAK1 (0.43) PAK1PAK2RIPK2NOD2TNK2
SCHEMBL15035255 0.80 PAK1 (0.42) PAK1PAK2RIPK2NOD2TNK2
SCHEMBL15035250 0.77 TNK2 (0.43) RIPK2NOD2TNK2
SCHEMBL16510428 0.77 PAK1 (0.65) PAK4PKN1PAK1PAK2TNK2
SCHEMBL15035281 0.76 FGFR1 (0.58) PAK4PKN1PAK1PAK2TNK2

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 326/4885PAK1 4/4885

“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.