SCHEMBL15041475

SCHEMBL15041475

CN(C)CCn1c(=O)c(-c2ccc(-c3cnnn3C)cn2)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 5/20 0.38
NOD2 Q9HC29 5/20 0.38
ACVR1 Q04771 4/20 0.38
SRC P12931 1/20 0.38
STK4 Q13043 2/20 0.36
STK3 Q13188 2/20 0.36
SIK2 Q9H0K1 2/20 0.36
STK26 Q9P289 2/20 0.36
STK24 Q9Y6E0 2/20 0.36
TNK2 Q07912 3/20 0.35
FGFR1 P11362 5/20 0.35
PAK4 O96013 1/20 0.34
PKN1 Q16512 1/20 0.34
CDK4 P11802 2/20 0.34
CCNA2 P20248 2/20 0.34
FGFR2 P21802 2/20 0.34
FGFR4 P22455 2/20 0.34
FGFR3 P22607 2/20 0.34
CCND1 P24385 2/20 0.34
CDK2 P24941 2/20 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
SCHEMBL15788004 0.92 RIPK2 (0.40) RIPK2NOD2ACVR1SRCSTK4
SCHEMBL14693007 0.90 RIPK2 (0.40) RIPK2NOD2ACVR1SRCSTK4
SCHEMBL13553608 0.87 RIPK2 (0.38) RIPK2NOD2ACVR1SRCSTK4
SCHEMBL13553733 0.75 PAK1 (0.44) RIPK2NOD2ACVR1SRCSTK4
SCHEMBL15041878 0.75 PAK4 (0.38) RIPK2NOD2ACVR1SRCSTK4
SCHEMBL15036055 0.74 RIPK2 (0.46) RIPK2NOD2ACVR1SRCSTK4
SCHEMBL14682124 0.74 CCNT1 (0.40) RIPK2NOD2ACVR1SRCSTK4
SCHEMBL14682028 0.74 CDK4 (0.42) RIPK2NOD2ACVR1SRCSTK4
SCHEMBL15041715 0.72 RIPK2 (0.40) RIPK2NOD2ACVR1SRCFGFR1
SCHEMBL15041869 0.71 CDK2 (0.42) RIPK2NOD2ACVR1SRCTNK2

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 RIPK2 971/4885NOD2 4628/4885ACVR1 4752/4885

“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.