SCHEMBL15035783

SCHEMBL15035783

CN1CCC(c2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(Cc5cncn5S(=O)(=O)c5ccccc5)c4n3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 1/20 0.43
JAK2 O60674 6/20 0.43
BRD4 O60885 3/20 0.43
JAK3 P52333 6/20 0.42
WEE1 P30291 3/20 0.41
PLK1 P53350 2/20 0.41
MAP4K1 Q92918 4/20 0.41
STAT6 P42226 1/20 0.41
PTK2 Q05397 4/20 0.41
PAK4 O96013 1/20 0.40
PKN1 Q16512 1/20 0.40
KCNH2 Q12809 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
SCHEMBL15277152 0.91 FGFR4 (0.45) FGFR4JAK2BRD4JAK3WEE1
SCHEMBL15035650 0.80 PAK4 (0.42) JAK2BRD4JAK3WEE1MAP4K1
SCHEMBL15277138 0.80 JAK2 (0.41) JAK2BRD4JAK3WEE1PLK1
SCHEMBL15034782 0.77 WEE1 (0.41) JAK2BRD4JAK3WEE1MAP4K1
SCHEMBL15034882 0.77 PAK4 (0.42) JAK2BRD4JAK3WEE1MAP4K1
SCHEMBL15035011 0.77 PTK2 (0.41) JAK2BRD4JAK3WEE1MAP4K1
SCHEMBL15035866 0.76 JAK2 (0.40) JAK2BRD4JAK3WEE1MAP4K1
SCHEMBL15035897 0.75 JAK2 (0.40) JAK2BRD4JAK3WEE1PLK1
SCHEMBL15041414 0.75 JAK2 (0.39) JAK2BRD4JAK3WEE1PLK1
SCHEMBL15034931 0.74 JAK3 (0.39) JAK2BRD4JAK3WEE1MAP4K1

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 3 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
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 FGFR4 2162/4885JAK2 227/4885BRD4 711/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 FGFR4 1949/4885JAK2 720/4885BRD4 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.