SCHEMBL15041274

SCHEMBL15041274

Cn1cncc1-c1ccc(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(C3CCOC3)c2=O)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 3/20 0.47
PAK3 O75914 3/20 0.47
PAK1 Q13153 3/20 0.47
PAK2 Q13177 3/20 0.47
PAK4 O96013 2/20 0.47
LIMK1 P53667 1/20 0.47
LIMK2 P53671 1/20 0.47
TNK2 Q07912 7/20 0.42
CDK4 P11802 9/20 0.41
CCND1 P24385 9/20 0.41
CCND2 P30279 3/20 0.41
CCND3 P30281 3/20 0.41
CCNA2 P20248 7/20 0.40
CDK2 P24941 7/20 0.40
FGFR1 P11362 6/20 0.40
FGFR2 P21802 6/20 0.40
FGFR4 P22455 6/20 0.40
FGFR3 P22607 6/20 0.40
CCNA1 P78396 1/20 0.39

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
SCHEMBL13553660 0.92 PAK4 (0.47) PKN1PAK3PAK1PAK2PAK4
SCHEMBL15785295 0.92 PAK4 (0.48) PKN1PAK3PAK1PAK2PAK4
SCHEMBL15041866 0.79 CDK4 (0.42) PKN1PAK3PAK1PAK2PAK4
SCHEMBL15041667 0.78 PAK3 (0.49) PKN1PAK3PAK1PAK2PAK4
SCHEMBL13553638 0.78 CDK4 (0.49) PKN1PAK3PAK1PAK2PAK4
SCHEMBL13553605 0.77 TNK2 (0.51) TNK2CDK4CCND1CCND2CCND3
SCHEMBL15785216 0.76 TNK2 (0.51) TNK2CDK4CCND1CCND2CCND3
SCHEMBL15041850 0.76 PAK3 (0.56) PKN1PAK3PAK1PAK2PAK4
SCHEMBL15041476 0.76 TNK2 (0.51) TNK2CDK4CCND1CCND2CCND3
SCHEMBL15034870 0.75 PAK4 (0.53) PKN1PAK3PAK1PAK2PAK4

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 PKN1 326/4885PAK3 6/4885PAK1 4/4885

“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.