SCHEMBL15041676

SCHEMBL15041676

CN(C)CCn1c(=O)c(-c2ncc([S+]([O-])C3CCN(C)CC3)cc2Cl)cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.41
WEE1 P30291 1/20 0.40
PAK4 O96013 3/20 0.40
PKN1 Q16512 3/20 0.40
PAK1 Q13153 2/20 0.40
SRC P12931 1/20 0.40
PAK3 O75914 1/20 0.39
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
PAK2 Q13177 1/20 0.39
TNK2 Q07912 5/20 0.39
FGFR1 P11362 3/20 0.38
STK4 Q13043 1/20 0.37
STK3 Q13188 1/20 0.37
SIK2 Q9H0K1 1/20 0.37
STK26 Q9P289 1/20 0.37
STK24 Q9Y6E0 1/20 0.37
RIPK2 O43353 1/20 0.37
ACVR1 Q04771 1/20 0.37
NOD2 Q9HC29 1/20 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
SCHEMBL13553760 0.75 PAK1 (0.44) AXLWEE1PAK4PKN1PAK1
SCHEMBL13553714 0.75 SRC (0.39) AXLWEE1SRCTNK2FGFR1
SCHEMBL15036134 0.74 FGFR1 (0.44) WEE1PAK4PKN1PAK1SRC
SCHEMBL15787934 0.73 PKN1 (0.47) PAK4PKN1PAK1SRCPAK3
SCHEMBL15036105 0.73 AURKA (0.41) AXLWEE1SRCTNK2FGFR1
SCHEMBL14682039 0.73 SRC (0.47) WEE1SRCTNK2FGFR1RIPK2
SCHEMBL15041536 0.72 RIPK2 (0.42) WEE1PAK4SRCTNK2FGFR1
SCHEMBL15785298 0.71 PKN1 (0.47) PAK4PKN1PAK1SRCPAK3
SCHEMBL15041879 0.71 RIPK2 (0.37) AXLWEE1PAK4PKN1PAK1
SCHEMBL13553657 0.70 PAK4 (0.45) WEE1PAK4PKN1PAK1SRC

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 3 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-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 AXL 831/4885WEE1 1354/4885PAK4 5/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 AXL 1075/4885WEE1 545/4885PAK4 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.