SCHEMBL15041519

SCHEMBL15041519

CN1CCC(S(=O)(=O)c2ccc(-c3cc4cnc(Nc5ccc(NC6CCNC6)cc5)nc4n(CCN4CCOCC4)c3=O)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 4/20 0.47
PAK1 Q13153 4/20 0.47
PAK4 O96013 3/20 0.47
PAK3 O75914 3/20 0.43
PAK2 Q13177 3/20 0.43
TNK2 Q07912 9/20 0.43
STK4 Q13043 2/20 0.42
STK3 Q13188 2/20 0.42
SIK2 Q9H0K1 2/20 0.42
STK26 Q9P289 2/20 0.42
STK24 Q9Y6E0 2/20 0.42
WEE1 P30291 2/20 0.42
LIMK1 P53667 1/20 0.42
LIMK2 P53671 1/20 0.42
FGFR1 P11362 2/20 0.40
SRC P12931 2/20 0.40
PDGFRB P09619 1/20 0.40
SLC2A1 P11166 1/20 0.40
PDGFRA P16234 1/20 0.40
PKMYT1 Q99640 1/20 0.40

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
SCHEMBL13553856 0.81 JAK3 (0.43) PKN1PAK1PAK4PAK3PAK2
SCHEMBL15041687 0.79 JAK3 (0.40) TNK2FGFR1SRCPDGFRBSLC2A1
SCHEMBL15787939 0.78 TNK2 (0.41) PKN1PAK1PAK4PAK3PAK2
SCHEMBL15041896 0.78 TNK2 (0.39) PKN1PAK4TNK2WEE1SRC
SCHEMBL15041865 0.76 TNK2 (0.41) PKN1PAK1PAK4PAK3PAK2
SCHEMBL15041709 0.75 PKN1 (0.48) PKN1PAK1PAK4PAK3PAK2
SCHEMBL15041651 0.75 AURKA (0.39) PKN1PAK4TNK2FGFR1SRC
SCHEMBL15041508 0.74 TNK2 (0.48) PKN1PAK1PAK4PAK3PAK2
SCHEMBL15041675 0.74 WEE1 (0.52) PKN1PAK1PAK4PAK3PAK2
SCHEMBL15034986 0.74 TNK2 (0.45) PKN1PAK1PAK4PAK3PAK2

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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 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 (2 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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 PKN1 534/4885PAK1 6/4885PAK4 5/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PKN1 326/4885PAK1 4/4885PAK4 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.