SCHEMBL15041248

SCHEMBL15041248

CN1CCCC(Oc2ccc(Nc3ncc4cc(-c5ccc(C6CCN(S(C)(=O)=O)CC6)cc5)c(=O)n(C5CCC([S+](C)[O-])CC5)c4n3)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 1/20 0.40
PKN1 Q16512 1/20 0.40
CDK2 P24941 17/20 0.39
CCND1 P24385 16/20 0.39
CCNE1 P24864 16/20 0.39
CDK6 Q00534 14/20 0.39
CDK4 P11802 9/20 0.39
CCNT1 O60563 6/20 0.39
CDK9 P50750 6/20 0.39
CDK1 P06493 2/20 0.39
CCNA2 P20248 2/20 0.39
PIK3CD O00329 1/20 0.39
PRKAB2 O43741 1/20 0.39
NUAK1 O60285 1/20 0.39
ABL1 P00519 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL14693011 0.93 PAK4 (0.44) PAK4PKN1CDK2CCND1CCNE1
SCHEMBL15035092 0.91 PAK4 (0.40) PAK4PKN1CDK2CCND1CCNE1
SCHEMBL13553640 0.83 CDK4 (0.43) PAK4PKN1CDK2CCND1CCNE1
SCHEMBL15041463 0.83 CDK2 (0.43) PAK4PKN1CDK2CCND1CCNE1
SCHEMBL15785270 0.81 CDK4 (0.44) PAK4PKN1CDK2CCND1CCNE1
SCHEMBL15041655 0.77 CDK2 (0.41) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL15041502 0.76 CDK4 (0.46) PAK4PKN1CDK2CCND1CCNE1
SCHEMBL15617441 0.75 CCND1 (0.48) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL15036152 0.74 CDK2 (0.46) PAK4PKN1CDK2CCND1CCNE1
SCHEMBL16310804 0.73 RIPK2 (0.45) CDK2CCND1CCNE1CDK6CDK4

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 326/4885CDK2 183/4885

“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.