SCHEMBL15041878

SCHEMBL15041878

CN(C)CCn1c(=O)c(-c2ccc([S+]([O-])CC(F)(F)F)cc2F)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.38
PKN1 Q16512 3/20 0.38
PAK1 Q13153 2/20 0.38
PAK3 O75914 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
PAK2 Q13177 1/20 0.38
TNK2 Q07912 3/20 0.37
FLT3 P36888 4/20 0.36
SRC P12931 1/20 0.36
CHEK1 O14757 5/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
SIK2 Q9H0K1 1/20 0.34
STK26 Q9P289 1/20 0.34
STK24 Q9Y6E0 1/20 0.34

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
SCHEMBL15041869 0.80 CDK2 (0.42) PAK4PKN1PAK1PAK3LIMK1
SCHEMBL14682124 0.78 CCNT1 (0.40) PAK4PKN1PAK1PAK3LIMK1
SCHEMBL13553608 0.76 RIPK2 (0.38) PAK4PKN1TNK2SRCCDK4
SCHEMBL13553733 0.76 PAK1 (0.44) PAK4PKN1PAK1PAK3LIMK1
SCHEMBL15041475 0.75 RIPK2 (0.38) PAK4PKN1TNK2SRCCDK4
SCHEMBL14693007 0.75 RIPK2 (0.40) PAK4PKN1TNK2SRCSTK4
SCHEMBL15041720 0.74 PAK4 (0.39) PAK4PKN1PAK1PAK3LIMK1
SCHEMBL15785223 0.73 TNK2 (0.39) PAK4PKN1PAK1PAK3LIMK1
SCHEMBL15787939 0.73 TNK2 (0.41) PAK4PKN1PAK1PAK3LIMK1
SCHEMBL15041865 0.71 TNK2 (0.41) PAK4PKN1PAK1PAK3LIMK1

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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 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 (2 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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 PAK4 5/4885PKN1 534/4885PAK1 6/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK4 5/4885PKN1 326/4885PAK1 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.