SCHEMBL15035864

SCHEMBL15035864

CN1CCOC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5ncoc5S(=O)(=O)c5ccccc5)c4n3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 9/20 0.38
JAK2 O60674 2/20 0.38
BRD4 O60885 2/20 0.38
PLK2 Q9NYY3 1/20 0.38
PAK4 O96013 1/20 0.37
PKN1 Q16512 1/20 0.37
JAK3 P52333 1/20 0.36
FGFR4 P22455 1/20 0.35
MAP4K1 Q92918 1/20 0.34

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
SCHEMBL15041593 0.80 JAK2 (0.39) JAK2BRD4PAK4PKN1JAK3
SCHEMBL15237012 0.79 PAK4 (0.39) TNK2JAK2BRD4PAK4PKN1
SCHEMBL15034877 0.77 PAK4 (0.40) TNK2JAK2BRD4PAK4PKN1
SCHEMBL15035781 0.76 CDK4 (0.38) TNK2JAK2BRD4PAK4PKN1
SCHEMBL15035007 0.75 PAK4 (0.38) JAK2BRD4PAK4PKN1JAK3
SCHEMBL15041891 0.74 PKN1 (0.56) TNK2PAK4PKN1
SCHEMBL15034776 0.74 PAK4 (0.37) JAK2BRD4PAK4PKN1JAK3
SCHEMBL15277151 0.74 JAK3 (0.39) JAK2BRD4PAK4PKN1JAK3
SCHEMBL15034954 0.73 TNK2 (0.36) TNK2PAK4PKN1JAK3
SCHEMBL15041237 0.73 TNK2 (0.37) TNK2PAK4PKN1JAK3FGFR4

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 TNK2 28/4885JAK2 227/4885BRD4 711/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885JAK2 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.