SCHEMBL15035869

SCHEMBL15035869

C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(Cc2occc2[S+]([O-])CC(F)(F)F)c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.41
JAK3 P52333 2/20 0.37
PAK4 O96013 1/20 0.35
PKN1 Q16512 1/20 0.35
STAT6 P42226 1/20 0.35
TNK2 Q07912 8/20 0.35
SRC P12931 3/20 0.35
ACVR1 Q04771 1/20 0.34
WEE1 P30291 1/20 0.33
PLK1 P53350 1/20 0.33
MAP4K1 Q92918 1/20 0.33
JAK2 O60674 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL15041847 0.94 PTK2 (0.42) PTK2JAK3PAK4PKN1STAT6
SCHEMBL15035782 0.78 PTK2 (0.38) PTK2JAK3PAK4PKN1STAT6
SCHEMBL15034889 0.76 JAK3 (0.39) PTK2JAK3PAK4PKN1STAT6
SCHEMBL15035647 0.76 JAK3 (0.39) PTK2JAK3PAK4PKN1STAT6
SCHEMBL15035796 0.75 TNK2 (0.37) JAK3TNK2SRC
SCHEMBL15035816 0.74 CAMK2D (0.35) JAK3TNK2SRCACVR1
SCHEMBL15035884 0.73 CAMK2D (0.37) PTK2JAK3TNK2SRC
SCHEMBL15035926 0.73 PTK2 (0.45) PTK2JAK3PAK4PKN1TNK2
SCHEMBL15035668 0.72 JAK3 (0.35) PTK2JAK3TNK2SRC
SCHEMBL15041415 0.72 PTK2 (0.39) PTK2JAK3PAK4PKN1STAT6

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 PTK2 166/4885JAK3 525/4885PAK4 5/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PTK2 12/4885JAK3 1901/4885PAK4 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.