SCHEMBL15035401

SCHEMBL15035401

CN1CCOC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(C5C(=O)Cc6ccccc6C5(C)C)c4n3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.38
PKN1 Q16512 2/20 0.38
TNK2 Q07912 10/20 0.37
CDK4 P11802 5/20 0.36
CCND1 P24385 5/20 0.36
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CCNE1 P24864 2/20 0.36
PIK3CD O00329 1/20 0.36
PRKAB2 O43741 1/20 0.36
NUAK1 O60285 1/20 0.36
CCNT1 O60563 1/20 0.36
ABL1 P00519 1/20 0.36
FYN P06241 1/20 0.36
CDK1 P06493 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
CCNB1 P14635 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
SCHEMBL15035505 0.82 TNK2 (0.39) PAK4PKN1TNK2CDK4CCND1
SCHEMBL15035287 0.80 TNK2 (0.41) PAK4PKN1TNK2CDK4CCND1
SCHEMBL15035378 0.78 WEE1 (0.45) PAK4PKN1JAK2BRD4JAK3
SCHEMBL15041814 0.74 CDK4 (0.40) CDK4CCND1CCNA2CDK2CCNE1
SCHEMBL15035457 0.74 CDK4 (0.35) CDK4CCND1CCNA2CDK2CCNE1
SCHEMBL15035543 0.74 CDK4 (0.49) PAK4PKN1CDK4CCND1CCNA2
SCHEMBL15041313 0.74 CDK4 (0.49) PAK4PKN1CDK4CCND1CCNA2
SCHEMBL15035546 0.73 CDK4 (0.41) PAK4PKN1TNK2CDK4CCND1
SCHEMBL15035539 0.72 FGFR1 (0.42) PAK4PKN1TNK2CDK4CCND1
SCHEMBL15035864 0.71 TNK2 (0.38) PAK4PKN1TNK2JAK2BRD4

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 2 patents. 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
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 PAK4 5/4885PKN1 326/4885TNK2 7/4885

“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.