SCHEMBL15041784

SCHEMBL15041784

CC(=O)N1CCCC1c1ccc(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(-c3ccccc3)c2=O)nc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 13/20 0.39
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
CCND2 P30279 1/20 0.39
CCND3 P30281 1/20 0.39
SRC P12931 3/20 0.37
EGFR P00533 1/20 0.36
FGFR1 P11362 2/20 0.36
MAP4K1 Q92918 1/20 0.36
CCNA2 P20248 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
CDK2 P24941 1/20 0.36
PDGFRB P09619 1/20 0.36
SLC2A1 P11166 1/20 0.36
PDGFRA P16234 1/20 0.36
PKMYT1 Q99640 1/20 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
SCHEMBL13553847 0.94 TNK2 (0.39) TNK2CDK4CCND1CCND2CCND3
SCHEMBL15785357 0.78 TNK2 (0.41) TNK2CDK4CCND1CCND2CCND3
SCHEMBL15036107 0.75 CDK4 (0.40) TNK2CDK4CCND1CCND2CCND3
SCHEMBL14682009 0.74 MAPK8 (0.39) CDK4CCND1CCND2CCND3SRC
SCHEMBL15788014 0.74 PAK4 (0.39) TNK2CDK4CCND1CCND2CCND3
SCHEMBL15281041 0.74 CDK4 (0.40) TNK2CDK4CCND1CCND2CCND3
SCHEMBL15785310 0.72 PAK4 (0.44) TNK2CDK4CCND1CCND2CCND3
SCHEMBL13553909 0.69 PKN1 (0.56) TNK2CDK4CCND1CCND2CCND3
SCHEMBL15785342 0.68 CHEK1 (0.39) CDK4CCND1CCND2CCND3EGFR
SCHEMBL13553498 0.68 CDK4 (0.45) CDK4CCND1CCND2CCND3FGFR1

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 TNK2 7/4885CDK4 404/4885CCND1 2153/4885

“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.