SCHEMBL15036068

SCHEMBL15036068

CN(C)CCS(=O)(=O)c1ccc(-c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 6/20 0.40
NOD2 Q9HC29 6/20 0.40
TNK2 Q07912 2/20 0.40
ACVR1 Q04771 5/20 0.38
WEE1 P30291 1/20 0.37
CDK2 P24941 1/20 0.37
KDR P35968 1/20 0.37
FGFR1 P11362 3/20 0.36
SRC P12931 1/20 0.36
PAK3 O75914 1/20 0.35
PAK4 O96013 1/20 0.35
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
PAK1 Q13153 1/20 0.35
PAK2 Q13177 1/20 0.35
PKN1 Q16512 1/20 0.35
PTK2 Q05397 2/20 0.34
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
SIK2 Q9H0K1 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
SCHEMBL16309185 0.88 RIPK2 (0.41) RIPK2NOD2TNK2ACVR1WEE1
SCHEMBL15281039 0.88 TNK2 (0.39) RIPK2NOD2TNK2ACVR1WEE1
SCHEMBL15036149 0.81 TNK2 (0.41) RIPK2NOD2TNK2ACVR1WEE1
SCHEMBL15041890 0.81 TNK2 (0.40) RIPK2NOD2TNK2ACVR1WEE1
SCHEMBL14693023 0.79 TNK2 (0.41) RIPK2NOD2TNK2ACVR1WEE1
SCHEMBL13553769 0.78 TNK2 (0.39) RIPK2NOD2TNK2ACVR1WEE1
SCHEMBL10192629 0.78 CDK4 (0.48) CDK2FGFR1SRCPTK2CDK4
SCHEMBL15035995 0.77 TNK2 (0.42) TNK2CDK2KDRSRCPAK3
SCHEMBL15036124 0.77 TNK2 (0.47) TNK2WEE1SRC
SCHEMBL15036112 0.75 PTK2 (0.48) TNK2PTK2

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 RIPK2 971/4885NOD2 4628/4885TNK2 7/4885

“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.