SCHEMBL15041313

SCHEMBL15041313

CN1CCN(c2ccc(Nc3ncc4cc(C(=O)C5CC5)c(=O)n(C5C(=O)Cc6ccccc6C5(C)C)c4n3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.49
CCND1 P24385 12/20 0.49
CCND2 P30279 7/20 0.49
CCND3 P30281 7/20 0.49
CDK2 P24941 7/20 0.49
CCNA2 P20248 6/20 0.49
FGFR1 P11362 6/20 0.49
CCNE1 P24864 5/20 0.49
CDK1 P06493 3/20 0.49
CCNB1 P14635 3/20 0.49
CDK6 Q00534 2/20 0.49
CCNT1 O60563 2/20 0.49
CDK9 P50750 2/20 0.49
CSF1R P07333 2/20 0.49
NUAK1 O60285 2/20 0.49
MARK3 P27448 2/20 0.49
MARK2 Q7KZI7 2/20 0.49
MARK4 Q96L34 2/20 0.49
NUAK2 Q9H093 2/20 0.49
MARK1 Q9P0L2 2/20 0.49

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
SCHEMBL15035543 0.93 CDK4 (0.49) CDK4CCND1CCND2CCND3CDK2
SCHEMBL15041574 0.82 CDK4 (0.51) CDK4CCND1CCND2CCND3CDK2
SCHEMBL15041330 0.79 CDK4 (0.54) CDK4CCND1CCND2CCND3CDK2
SCHEMBL15035514 0.78 CDK4 (0.54) CDK4CCND1CCND2CCND3CDK2
SCHEMBL15041814 0.76 CDK4 (0.40) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL15035337 0.75 CDK4 (0.51) CDK4CCND1CCND2CCND3CDK2
SCHEMBL15035457 0.74 CDK4 (0.35) CDK4CCND1CCND2CCND3CDK2
SCHEMBL15035378 0.74 WEE1 (0.45) PAK4PKN1WEE1BRD4
SCHEMBL15035401 0.74 PAK4 (0.38) CDK4CCND1CCND2CCND3CDK2
SCHEMBL15041547 0.74 CDK4 (0.48) CDK4CCND1CCND2CCND3CDK2

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.