SCHEMBL15041734

SCHEMBL15041734

CN(c1ccc(Nc2ncc3cc(C#CC4CCNCC4)c(=O)n(Cc4ccccc4C(F)(F)F)c3n2)cc1)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 1/20 0.39
MAP4K1 Q92918 1/20 0.39
WEE1 P30291 1/20 0.39
PTK2 Q05397 7/20 0.37
TNK2 Q07912 1/20 0.37
CDK4 P11802 4/20 0.37
CCND1 P24385 4/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
FGFR1 P11362 2/20 0.36
CCNA2 P20248 2/20 0.36
FGFR2 P21802 2/20 0.36
FGFR4 P22455 2/20 0.36
FGFR3 P22607 2/20 0.36
CDK2 P24941 2/20 0.36
FLT4 P35916 5/20 0.36
KDR P35968 1/20 0.35

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
SCHEMBL15036364 0.97 CDK4 (0.39) MAP4K3MAP4K1WEE1PTK2TNK2
SCHEMBL15258273 0.95 MAP4K3 (0.37) MAP4K3MAP4K1WEE1PTK2TNK2
SCHEMBL15618064 0.93 CCND1 (0.37) MAP4K3MAP4K1WEE1PTK2TNK2
SCHEMBL15617470 0.84 CCND1 (0.38) MAP4K1TNK2CDK4CCND1CCND2
SCHEMBL15036183 0.83 CDK4 (0.38) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15041563 0.83 PTK2 (0.49) PTK2FLT4KDR
SCHEMBL15258232 0.82 CDK4 (0.36) MAP4K1WEE1TNK2CDK4CCND1
SCHEMBL15036470 0.82 CDK4 (0.39) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL15617431 0.82 AXL (0.37) WEE1CDK4CCND1FGFR1CCNA2
SCHEMBL15785333 0.79 TNK2 (0.41) MAP4K3MAP4K1WEE1PTK2TNK2

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 MAP4K3 100/4885MAP4K1 84/4885WEE1 545/4885

“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.