SCHEMBL15035889

SCHEMBL15035889

C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(Cc2sccc2[S+]([O-])CCOC)c1=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK3 O75914 1/20 0.39
PAK4 O96013 1/20 0.39
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
PAK1 Q13153 1/20 0.39
PAK2 Q13177 1/20 0.39
PKN1 Q16512 1/20 0.39
WEE1 P30291 2/20 0.39
JAK3 P52333 1/20 0.38
TNK2 Q07912 11/20 0.38
KCNH2 Q12809 1/20 0.37
CDK4 P11802 4/20 0.37
CCND1 P24385 4/20 0.37
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR4 P22455 2/20 0.37
FGFR3 P22607 2/20 0.37
CCND2 P30279 1/20 0.36

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
SCHEMBL15041424 0.93 PAK3 (0.40) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035679 0.79 KCNH2 (0.40) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035810 0.77 WEE1 (0.40) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15034920 0.75 TNK2 (0.41) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035033 0.74 TNK2 (0.44) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15034810 0.74 FGFR1 (0.43) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15041339 0.72 KCNH2 (0.41) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035717 0.72 CDK4 (0.44) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15277153 0.72 FGFR1 (0.40) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035785 0.72 FGFR1 (0.40) PAK3PAK4LIMK1LIMK2PAK1

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-20130252967-A1 8-(SULFONYLBENZYL)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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 PAK3 2/4885PAK4 5/4885LIMK1 947/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK3 6/4885PAK4 5/4885LIMK1 105/4885

“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.