SCHEMBL15041593

SCHEMBL15041593

CN1CCOC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5cccc(S(=O)(=O)c6nccs6)c5)c4n3)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.39
BRD4 O60885 8/20 0.39
RIPK2 O43353 1/20 0.38
ACVR1 Q04771 1/20 0.38
NOD2 Q9HC29 1/20 0.38
JAK3 P52333 6/20 0.38
PTK2 Q05397 1/20 0.38
JAK1 P23458 2/20 0.37
EGFR P00533 1/20 0.37
TYK2 P29597 1/20 0.37
BTK Q06187 1/20 0.37
FGFR1 P11362 1/20 0.37
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36
PAK4 O96013 1/20 0.36
PKN1 Q16512 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL15035864 0.80 TNK2 (0.38) JAK2BRD4JAK3PAK4PKN1
SCHEMBL15035007 0.78 PAK4 (0.38) JAK2BRD4JAK3JAK1BRD2
SCHEMBL15277151 0.78 JAK3 (0.39) JAK2BRD4RIPK2ACVR1NOD2
SCHEMBL15036088 0.77 RIPK2 (0.44) JAK2RIPK2ACVR1NOD2JAK3
SCHEMBL15035892 0.76 BRD4 (0.38) JAK2BRD4ACVR1JAK3PTK2
SCHEMBL15034918 0.75 CDK4 (0.41) JAK3FGFR1PAK4PKN1WEE1
SCHEMBL15034776 0.75 PAK4 (0.37) JAK2BRD4JAK3JAK1BRD2
SCHEMBL15237012 0.75 PAK4 (0.39) JAK2BRD4JAK3FGFR1PAK4
SCHEMBL15034877 0.75 PAK4 (0.40) JAK2BRD4JAK3FGFR1PAK4
SCHEMBL15035745 0.73 RIPK2 (0.48) RIPK2ACVR1NOD2FGFR1PAK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK2 720/4885BRD4 1003/4885RIPK2 971/4885

“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.