SCHEMBL15041789

SCHEMBL15041789

Cc1c(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(CC(F)(F)F)c2=O)ncn1-c1ccnnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 1/20 0.52
PAK1 Q13153 3/20 0.52
PKN1 Q16512 2/20 0.52
PAK4 O96013 1/20 0.52
PAK3 O75914 2/20 0.50
PAK2 Q13177 2/20 0.50
FGFR1 P11362 5/20 0.49
FGFR2 P21802 2/20 0.49
FGFR4 P22455 2/20 0.49
FGFR3 P22607 2/20 0.49
SRC P12931 2/20 0.49
CDK4 P11802 9/20 0.48
CCND1 P24385 8/20 0.48
CCND2 P30279 7/20 0.48
CCND3 P30281 7/20 0.48
MAPK8 P45983 1/20 0.46
AURKA O14965 1/20 0.44
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNA2 P20248 2/20 0.43

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
SCHEMBL13553795 0.92 WEE1 (0.55) WEE1PAK1PKN1PAK4PAK3
SCHEMBL15787966 0.82 FLT3 (0.38) WEE1FGFR1FGFR2FGFR4FGFR3
SCHEMBL15785268 0.75 WEE1 (0.53) WEE1PAK1PKN1PAK4PAK3
SCHEMBL5265184 0.74 CDK4 (0.80) PAK1PKN1PAK4FGFR1FGFR2
SCHEMBL15281134 0.73 WEE1 (0.49) WEE1PAK1PKN1PAK4PAK3
SCHEMBL15785467 0.72 WEE1 (0.69) WEE1PAK1PKN1PAK4PAK3
SCHEMBL15041452 0.72 PAK1 (0.61) WEE1PAK1PKN1PAK4PAK3
SCHEMBL6808498 0.72 CDK4 (0.74) WEE1PAK1PKN1PAK4PAK3
SCHEMBL15036053 0.71 FGFR4 (0.51) WEE1PAK1PKN1PAK4FGFR1
SCHEMBL10192790 0.71 WEE1 (0.77) WEE1PAK1PKN1PAK4PAK3

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 WEE1 545/4885PAK1 4/4885PKN1 326/4885

“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.