SCHEMBL15035510

SCHEMBL15035510

CN1CCC(c2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(C5Cc6ccccc6NS5(=O)=O)c4n3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 2/20 0.43
MAP4K1 Q92918 10/20 0.41
KCNH2 Q12809 1/20 0.41
PAK4 O96013 1/20 0.40
PKN1 Q16512 1/20 0.40
JAK2 O60674 2/20 0.40
BRD4 O60885 2/20 0.40
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
STAT6 P42226 1/20 0.39
MAP4K3 Q8IVH8 1/20 0.39
JAK3 P52333 2/20 0.39
PLK1 P53350 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
SCHEMBL15035450 0.84 WEE1 (0.42) WEE1MAP4K1KCNH2PAK4PKN1
SCHEMBL15035344 0.80 CDK4 (0.41) WEE1MAP4K1PAK4PKN1JAK2
SCHEMBL15035303 0.80 WEE1 (0.44) WEE1MAP4K1KCNH2PAK4PKN1
SCHEMBL15035411 0.78 WEE1 (0.45) WEE1MAP4K1KCNH2PAK4PKN1
SCHEMBL15041838 0.78 CDK4 (0.44) WEE1PAK4PKN1CDK4CCNA2
SCHEMBL15035346 0.78 MAP4K1 (0.41) WEE1MAP4K1KCNH2PAK4PKN1
SCHEMBL15035539 0.77 FGFR1 (0.42) PAK4PKN1CDK4CCNA2CCND1
SCHEMBL15035293 0.76 CDK4 (0.51) PAK4PKN1JAK2CDK4CCNA2
SCHEMBL15035486 0.74 CDK4 (0.39) WEE1CDK4CCNA2CCND1CDK2
SCHEMBL15041303 0.74 CDK4 (0.41) WEE1CDK4CCNA2CCND1CDK2

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 545/4885MAP4K1 84/4885KCNH2 4768/4885

“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.