SCHEMBL15035513

SCHEMBL15035513

CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5C)c(=O)n(C5C(=O)c6ccccc6CC5(C)C)c4n3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 4/20 0.43
BRD4 O60885 3/20 0.41
JAK2 O60674 2/20 0.41
PAK4 O96013 1/20 0.40
PKN1 Q16512 1/20 0.40
MAP4K1 Q92918 6/20 0.40
JAK3 P52333 2/20 0.40
KCNH2 Q12809 1/20 0.38
TNK2 Q07912 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
ABL1 P00519 1/20 0.38
FYN P06241 1/20 0.38
CDK1 P06493 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 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
SCHEMBL15035412 0.84 WEE1 (0.44) WEE1BRD4JAK2PAK4PKN1
SCHEMBL15035546 0.84 CDK4 (0.41) BRD4JAK2PAK4PKN1MAP4K1
SCHEMBL15035378 0.82 WEE1 (0.45) WEE1BRD4JAK2PAK4PKN1
SCHEMBL15035303 0.81 WEE1 (0.44) WEE1BRD4JAK2PAK4PKN1
SCHEMBL15035395 0.79 CDK4 (0.37) WEE1BRD4JAK2PAK4PKN1
SCHEMBL15035476 0.79 WEE1 (0.45) WEE1BRD4JAK2PAK4PKN1
SCHEMBL15035584 0.78 WEE1 (0.46) WEE1BRD4JAK2PAK4PKN1
SCHEMBL15035578 0.75 CDK4 (0.39) PAK4PKN1TNK2PIK3CDPRKAB2
SCHEMBL15035498 0.74 CDK4 (0.38) WEE1BRD4JAK2PAK4PKN1
SCHEMBL15034891 0.73 PKN1 (0.44) WEE1BRD4JAK2PAK4PKN1

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 WEE1 545/4885BRD4 1003/4885JAK2 720/4885

“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.