SCHEMBL15036078

SCHEMBL15036078

C[C@@H]1CN(c2ccc(Nc3ncc4cc(-c5ccc(S(=O)(=O)c6ccccc6)cc5C(F)(F)F)c(=O)n(CC(=O)CC5CCOCC5)c4n3)cc2F)C[C@H](C)N1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 15/20 0.43
PAK3 O75914 1/20 0.41
PAK4 O96013 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
PAK1 Q13153 1/20 0.41
PAK2 Q13177 1/20 0.41
PKN1 Q16512 1/20 0.41
JAK3 P52333 3/20 0.39
FGFR1 P11362 1/20 0.38
FGFR4 P22455 1/20 0.38
KDR P35968 1/20 0.38
SRC P12931 2/20 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
SCHEMBL15041510 0.95 TNK2 (0.41) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15281046 0.93 TNK2 (0.48) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15281599 0.88 TNK2 (0.45) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL16309188 0.85 TNK2 (0.48) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15036001 0.76 FGFR1 (0.43) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15281052 0.76 FGFR1 (0.43) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL16310840 0.76 FGFR1 (0.43) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15280098 0.71 FGFR1 (0.40) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15041628 0.71 FGFR1 (0.40) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15277164 0.71 FGFR1 (0.39) TNK2PAK3PAK4LIMK1LIMK2

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 7/4885PAK3 6/4885PAK4 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.