SCHEMBL15035561

SCHEMBL15035561

CCN(CC)c1cc2cnc(Nc3ccc(N4CCNC(C)C4)c(F)c3)nc2n(C2CNc3ccccc3C2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 5/20 0.44
PAK3 O75914 1/20 0.43
PAK4 O96013 1/20 0.43
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
PAK1 Q13153 1/20 0.43
PAK2 Q13177 1/20 0.43
PKN1 Q16512 1/20 0.43
CDK4 P11802 9/20 0.40
CCND1 P24385 8/20 0.40
CDK6 Q00534 3/20 0.40
CCNT1 O60563 3/20 0.40
CDK9 P50750 3/20 0.40
CCND3 P30281 2/20 0.40
CDK2 P24941 4/20 0.40
CCNA2 P20248 3/20 0.40
FGFR1 P11362 3/20 0.39
FGFR4 P22455 3/20 0.39
FGFR2 P21802 2/20 0.39
FGFR3 P22607 2/20 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
SCHEMBL15035355 0.89 WEE1 (0.47) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15035458 0.82 WEE1 (0.45) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15035265 0.78 PAK3 (0.57) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15035695 0.76 WEE1 (0.42) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15035417 0.74 CDK4 (0.44) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15034833 0.74 WEE1 (0.42) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15035391 0.74 WEE1 (0.45) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15034937 0.74 PAK3 (0.43) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15041568 0.73 CDK4 (0.46) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15035529 0.73 WEE1 (0.48) WEE1PAK3PAK4LIMK1LIMK2

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 545/4885PAK3 6/4885PAK4 5/4885

“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.