SCHEMBL15035856

SCHEMBL15035856

CN(C)CCS(=O)(=O)c1cnncc1Cn1c(=O)c(-c2nccn2C)cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.38
PKN1 Q16512 2/20 0.38
WEE1 P30291 1/20 0.37
PAK1 Q13153 1/20 0.37
FGFR1 P11362 2/20 0.36
TNK2 Q07912 10/20 0.36
BRD4 O60885 4/20 0.36
JAK2 O60674 3/20 0.36
SRC P12931 1/20 0.35

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
SCHEMBL15035755 0.87 PAK4 (0.45) PAK4PKN1WEE1BRD4JAK2
SCHEMBL15034886 0.78 PAK4 (0.39) PAK4PKN1WEE1PAK1FGFR1
SCHEMBL15035651 0.77 PKN1 (0.40) PAK4PKN1WEE1PAK1TNK2
SCHEMBL15035772 0.77 PAK4 (0.40) PAK4PKN1WEE1PAK1FGFR1
SCHEMBL15277150 0.75 TNK2 (0.39) PAK4PKN1WEE1PAK1FGFR1
SCHEMBL15034999 0.75 TNK2 (0.41) PAK4PKN1WEE1PAK1FGFR1
SCHEMBL13553938 0.72 EGFR (0.52) WEE1FGFR1SRC
SCHEMBL15035998 0.71 PAK4 (0.48) PAK4PKN1WEE1TNK2BRD4
SCHEMBL15035064 0.71 PKN1 (0.47) PAK4PKN1WEE1PAK1TNK2
SCHEMBL15036360 0.71 FGFR1 (0.39) PAK4PKN1WEE1PAK1FGFR1

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 4 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-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
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 PAK4 5/4885PKN1 430/4885WEE1 983/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK4 5/4885PKN1 326/4885WEE1 545/4885

“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.