SCHEMBL15041444

SCHEMBL15041444

CN1CCC(c2ccc(Nc3ncc4cc(-c5ncc(S(=O)(=O)C6CCOCC6)s5)c(=O)n(CCN5CCOCC5)c4n3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.44
PAK4 O96013 2/20 0.44
PKN1 Q16512 2/20 0.44
JAK2 O60674 2/20 0.41
BRD4 O60885 2/20 0.41
AURKA O14965 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
WEE1 P30291 2/20 0.39
PDGFRB P09619 1/20 0.39
SLC2A1 P11166 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
PKMYT1 Q99640 1/20 0.39
PAK1 Q13153 1/20 0.39
TNK2 Q07912 5/20 0.38

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
SCHEMBL15041687 0.81 JAK3 (0.40) JAK3AURKACDK1CCNB1CYP3A4
SCHEMBL15041713 0.80 FGFR1 (0.39) JAK3PAK4PKN1AURKACDK1
SCHEMBL15041699 0.78 AURKA (0.43) JAK3PAK4PKN1JAK2AURKA
SCHEMBL15785307 0.78 PAK4 (0.44) JAK3PAK4PKN1WEE1TNK2
SCHEMBL15785220 0.78 PAK4 (0.51) JAK3PAK4PKN1WEE1PAK1
SCHEMBL13553830 0.78 PAK4 (0.45) JAK3PAK4PKN1AURKACDK1
SCHEMBL15036033 0.76 PAK4 (0.50) JAK3PAK4PKN1JAK2BRD4
SCHEMBL15041278 0.76 JAK3 (0.44) JAK3PAK4PKN1AURKACDK1
SCHEMBL15041651 0.76 AURKA (0.39) JAK3PAK4PKN1JAK2BRD4
SCHEMBL15035128 0.75 PAK4 (0.45) JAK3PAK4PKN1WEE1TNK2

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-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 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 JAK3 1901/4885PAK4 5/4885PKN1 326/4885

“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.