SCHEMBL15035832

SCHEMBL15035832

CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5C)c(=O)n(Cc5ccc([S+]([O-])CC(C)(F)F)cc5)c4n3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.47
PKN1 Q16512 2/20 0.47
BRD4 O60885 3/20 0.42
WEE1 P30291 3/20 0.42
JAK2 O60674 1/20 0.42
FGFR1 P11362 1/20 0.40
MAP4K1 Q92918 4/20 0.40
JAK3 P52333 2/20 0.39
PLK1 P53350 1/20 0.39
PAK1 Q13153 1/20 0.39
TNK2 Q07912 2/20 0.39
KCNH2 Q12809 1/20 0.39
PTK2 Q05397 2/20 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
SCHEMBL15041611 0.95 PAK4 (0.47) PAK4PKN1BRD4WEE1JAK2
SCHEMBL15280146 0.78 JAK2 (0.47) PAK4PKN1BRD4WEE1JAK2
SCHEMBL15035064 0.76 PKN1 (0.47) PAK4PKN1BRD4WEE1JAK2
SCHEMBL15034957 0.75 PAK4 (0.46) PAK4PKN1BRD4WEE1JAK2
SCHEMBL15035870 0.75 PKN1 (0.42) PAK4PKN1BRD4WEE1JAK2
SCHEMBL15035755 0.75 PAK4 (0.45) PAK4PKN1BRD4WEE1JAK2
SCHEMBL15034849 0.74 PKN1 (0.46) PAK4PKN1BRD4WEE1JAK2
SCHEMBL15035727 0.74 PAK4 (0.41) PAK4PKN1BRD4WEE1JAK2
SCHEMBL15035772 0.74 PAK4 (0.40) PAK4PKN1WEE1FGFR1JAK3
SCHEMBL15034891 0.74 PKN1 (0.44) PAK4PKN1BRD4WEE1JAK2

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 PAK4 5/4885PKN1 430/4885BRD4 711/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK4 5/4885PKN1 326/4885BRD4 1003/4885

“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.