SCHEMBL15041552

SCHEMBL15041552

CN1CCCC(Nc2ccc(Nc3ncc4cc(Br)c(=O)n(C5C(=O)c6ccccc6N(C)C5(C)C)c4n3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.49
CCND1 P24385 15/20 0.49
CCNA2 P20248 9/20 0.49
CDK2 P24941 9/20 0.49
CCND2 P30279 9/20 0.44
CCND3 P30281 9/20 0.44
FGFR1 P11362 6/20 0.44
FGFR2 P21802 5/20 0.44
FGFR4 P22455 5/20 0.44
FGFR3 P22607 5/20 0.44
CCNA1 P78396 4/20 0.44
TNK2 Q07912 2/20 0.39
WEE1 P30291 2/20 0.38
CCNE1 P24864 3/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
PIK3CD O00329 1/20 0.38
PRKAB2 O43741 1/20 0.38
NUAK1 O60285 1/20 0.38
CCNT1 O60563 1/20 0.38

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
SCHEMBL15035327 0.92 CCND1 (0.44) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL15035567 0.80 TNK2 (0.43) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL15041315 0.79 CDK4 (0.51) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL15035480 0.77 CDK4 (0.38) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL15041571 0.76 CDK4 (0.39) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL15035429 0.76 CDK4 (0.38) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL15041574 0.75 CDK4 (0.51) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL15035337 0.75 CDK4 (0.51) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL15035578 0.74 CDK4 (0.39) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL15035296 0.72 CDK4 (0.54) CDK4CCND1CCNA2CDK2CCND2

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 2153/4885CCNA2 2011/4885

“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.