SCHEMBL15036077

SCHEMBL15036077

CN(CCn1c(=O)c(-c2cccc(S(=O)(=O)C3CCCCC3)c2)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc21)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.44
CDK6 Q00534 2/20 0.44
RIPK2 O43353 10/20 0.40
ACVR1 Q04771 6/20 0.40
NOD2 Q9HC29 6/20 0.40
TNK2 Q07912 3/20 0.39
SRC P12931 1/20 0.38
STK4 Q13043 1/20 0.37
STK3 Q13188 1/20 0.37
SIK2 Q9H0K1 1/20 0.37
STK26 Q9P289 1/20 0.37
STK24 Q9Y6E0 1/20 0.37
WEE1 P30291 1/20 0.37

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
SCHEMBL15041460 0.94 CDK4 (0.40) CDK4CDK6RIPK2ACVR1NOD2
SCHEMBL16309189 0.89 JAK2 (0.44) CDK4CDK6RIPK2ACVR1NOD2
SCHEMBL15036154 0.81 CDK4 (0.44) CDK4CDK6RIPK2ACVR1NOD2
SCHEMBL14682052 0.77 PKN1 (0.43) RIPK2ACVR1NOD2SRCSTK4
SCHEMBL15036122 0.73 RIPK2 (0.47) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL15036147 0.73 PAK3 (0.52) CDK4CDK6TNK2SRCWEE1
SCHEMBL15041446 0.73 PAK4 (0.43) TNK2WEE1
SCHEMBL15041707 0.72 RIPK2 (0.43) RIPK2ACVR1NOD2TNK2WEE1
SCHEMBL15036055 0.71 RIPK2 (0.46) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL15041420 0.71 CDK4 (0.46) CDK4CDK6RIPK2ACVR1NOD2

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 CDK4 404/4885CDK6 435/4885RIPK2 971/4885

“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.