SCHEMBL15035967

SCHEMBL15035967

C[SH](=O)(c1ccc(-c2cc3cnc(Nc4ccc(C5CCCNC5)cc4)nc3n(CCN3CCOCC3)c2=O)nc1)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 1/20 0.39
PKN1 Q16512 1/20 0.39
JAK3 P52333 2/20 0.39
AURKA O14965 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FGFR1 P11362 3/20 0.37
PDGFRB P09619 1/20 0.37
SLC2A1 P11166 1/20 0.37
SRC P12931 1/20 0.37
PDGFRA P16234 1/20 0.37
PKMYT1 Q99640 1/20 0.37
TNK2 Q07912 7/20 0.37
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
CCNA2 P20248 2/20 0.36
FGFR2 P21802 2/20 0.36

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
SCHEMBL15041651 0.86 AURKA (0.39) PAK4PKN1JAK3AURKACDK1
SCHEMBL13553625 0.78 TNK2 (0.41) PAK4PKN1JAK3TNK2
SCHEMBL15787939 0.77 TNK2 (0.41) PAK4PKN1JAK3AURKACDK1
SCHEMBL15041699 0.76 AURKA (0.43) PAK4PKN1JAK3AURKACDK1
SCHEMBL15041870 0.76 PKN1 (0.44) PAK4PKN1FGFR1CDK4CCND1
SCHEMBL14682056 0.76 PAK4 (0.43) PAK4PKN1JAK3AURKACDK1
SCHEMBL15787836 0.75 JAK3 (0.39) PAK4PKN1JAK3AURKACDK1
SCHEMBL15036016 0.74 TNK2 (0.40) PAK4PKN1SRCTNK2WEE1
SCHEMBL13553731 0.74 JAK3 (0.42) PAK4PKN1JAK3FGFR1PDGFRB
SCHEMBL13553844 0.72 PAK1 (0.43) PAK4PKN1FGFR1TNK2CDK4

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.