SCHEMBL15036364

SCHEMBL15036364

CN(c1ccc(Nc2ncc3cc(C#CC4CCCCC4)c(=O)n(Cc4ccccc4C(F)(F)F)c3n2)cc1)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.39
CCND1 P24385 12/20 0.39
CCND2 P30279 3/20 0.39
CCND3 P30281 3/20 0.39
CCNA2 P20248 7/20 0.38
CDK2 P24941 7/20 0.38
FGFR1 P11362 6/20 0.38
FGFR2 P21802 6/20 0.38
FGFR4 P22455 6/20 0.38
FGFR3 P22607 6/20 0.38
MAP4K3 Q8IVH8 1/20 0.38
MAP4K1 Q92918 1/20 0.38
WEE1 P30291 1/20 0.37
TNK2 Q07912 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 3/20 0.36
FLT4 P35916 1/20 0.36
CDK6 Q00534 1/20 0.35
CCNA1 P78396 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
SCHEMBL15041734 0.97 MAP4K3 (0.39) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL15258273 0.93 MAP4K3 (0.37) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL15618064 0.91 CCND1 (0.37) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL15036470 0.84 CDK4 (0.39) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL15617470 0.83 CCND1 (0.38) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL15036183 0.82 CDK4 (0.38) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL15041563 0.81 PTK2 (0.49) JAK3PTK2FLT4
SCHEMBL15258232 0.81 CDK4 (0.36) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL15617431 0.80 AXL (0.37) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL16511400 0.79 PTK2 (0.51) WEE1PTK2FLT4

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 CDK4 404/4885CCND1 2153/4885CCND2 2332/4885

“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.