SCHEMBL15035807

SCHEMBL15035807

CCOc1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(Cc2ccsc2S(=O)(=O)c2ccncc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 1/20 0.42
PKN1 Q16512 1/20 0.42
BRD4 O60885 5/20 0.42
JAK2 O60674 2/20 0.42
ALK Q9UM73 3/20 0.41
PLK1 P53350 3/20 0.41
MAP4K1 Q92918 8/20 0.41
JAK3 P52333 2/20 0.41
TNK2 Q07912 1/20 0.39
WEE1 P30291 2/20 0.39
INSR P06213 1/20 0.39
PLK3 Q9H4B4 1/20 0.39

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
SCHEMBL15034978 0.82 PAK4 (0.47) PAK4PKN1BRD4ALKPLK1
SCHEMBL15035910 0.81 PAK1 (0.38) PAK4PKN1BRD4JAK2ALK
SCHEMBL15034921 0.80 PAK4 (0.47) PAK4PKN1BRD4JAK2ALK
SCHEMBL15034814 0.80 PAK4 (0.46) PAK4PKN1BRD4JAK2MAP4K1
SCHEMBL15035761 0.79 JAK2 (0.40) PAK4PKN1BRD4JAK2PLK1
SCHEMBL15277137 0.78 BRD4 (0.45) PAK4PKN1BRD4JAK2ALK
SCHEMBL15035071 0.76 JAK2 (0.41) PAK4PKN1BRD4JAK2MAP4K1
SCHEMBL15035756 0.76 MAP4K1 (0.45) PAK4PKN1BRD4JAK2ALK
SCHEMBL15035842 0.75 PAK4 (0.44) PAK4PKN1BRD4JAK2MAP4K1
SCHEMBL15034868 0.75 PAK4 (0.43) PAK4PKN1MAP4K1JAK3TNK2

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 430/4885BRD4 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.