SCHEMBL15035870

SCHEMBL15035870

CC(C)[S+]([O-])c1ccsc1Cn1c(=O)c(-c2nccn2C)cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 3/20 0.42
PAK4 O96013 2/20 0.42
JAK3 P52333 2/20 0.40
WEE1 P30291 2/20 0.37
PAK1 Q13153 3/20 0.37
TNK2 Q07912 7/20 0.37
MAP4K1 Q92918 2/20 0.36
PAK3 O75914 2/20 0.36
PAK2 Q13177 2/20 0.36
JAK2 O60674 2/20 0.36
BRD4 O60885 2/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 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
SCHEMBL15034891 0.87 PKN1 (0.44) PKN1PAK4JAK3WEE1PAK1
SCHEMBL15277130 0.80 PKN1 (0.40) PKN1PAK4JAK3WEE1PAK1
SCHEMBL15035064 0.78 PKN1 (0.47) PKN1PAK4JAK3WEE1PAK1
SCHEMBL15034849 0.78 PKN1 (0.46) PKN1PAK4JAK3WEE1PAK1
SCHEMBL15035727 0.77 PAK4 (0.41) PKN1PAK4JAK3WEE1PAK1
SCHEMBL15277150 0.77 TNK2 (0.39) PKN1PAK4JAK3WEE1PAK1
SCHEMBL15035651 0.76 PKN1 (0.40) PKN1PAK4JAK3WEE1PAK1
SCHEMBL15034784 0.76 PAK4 (0.44) PKN1PAK4JAK3WEE1TNK2
SCHEMBL15035015 0.76 PAK4 (0.42) PKN1PAK4JAK3WEE1TNK2
SCHEMBL15041611 0.75 PAK4 (0.47) PKN1PAK4JAK3WEE1PAK1

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 PKN1 430/4885PAK4 5/4885JAK3 525/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PKN1 326/4885PAK4 5/4885JAK3 1901/4885

“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.