SCHEMBL15041286

SCHEMBL15041286

CN1CCCC(Oc2ccc(Nc3ncc4cc(-c5ccc(-c6ccnnc6)cc5C(F)(F)F)c(=O)n(CCN(C)S(C)(=O)=O)c4n3)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.40
PKN1 Q16512 3/20 0.37
PAK4 O96013 2/20 0.37
RIPK2 O43353 5/20 0.37
NOD2 Q9HC29 5/20 0.37
ACVR1 Q04771 3/20 0.37
SRC P12931 1/20 0.36
PAK1 Q13153 3/20 0.36
PAK3 O75914 2/20 0.36
PAK2 Q13177 2/20 0.36
CDK2 P24941 1/20 0.36
KDR P35968 1/20 0.36
CAMK2D Q13557 1/20 0.35
PTK2 Q05397 1/20 0.35
WEE1 P30291 1/20 0.35
FGFR1 P11362 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
SCHEMBL14682102 0.94 TNK2 (0.40) TNK2PKN1PAK4RIPK2NOD2
SCHEMBL15785355 0.86 TNK2 (0.41) TNK2PKN1PAK4RIPK2NOD2
SCHEMBL15036122 0.79 RIPK2 (0.47) TNK2RIPK2NOD2ACVR1SRC
SCHEMBL15041707 0.79 RIPK2 (0.43) TNK2RIPK2NOD2ACVR1PTK2
SCHEMBL15787914 0.75 RIPK2 (0.43) TNK2PKN1PAK4RIPK2NOD2
SCHEMBL14682001 0.75 RIPK2 (0.47) TNK2PKN1PAK4RIPK2NOD2
SCHEMBL14682109 0.72 CDK2 (0.43) TNK2PKN1PAK4PAK1CDK2
SCHEMBL15281053 0.72 RIPK2 (0.46) TNK2RIPK2NOD2ACVR1SRC
SCHEMBL15041506 0.71 RIPK2 (0.42) TNK2PKN1PAK4RIPK2NOD2
SCHEMBL14682018 0.70 PAK3 (0.43) TNK2PKN1PAK4PAK1PAK3

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 TNK2 7/4885PKN1 326/4885PAK4 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.