SCHEMBL4528831

SCHEMBL4528831

Cc1cc(Nc2nc(N[C@H]3CC4CCC3N4)nc3ccsc23)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 7/20 0.54
PAK4 O96013 5/20 0.47
GSK3B P49841 2/20 0.47
DYRK3 O43781 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
MET P08581 1/20 0.47
ROS1 P08922 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL4528817 1.00 PAK1 (0.54) PAK1PAK4GSK3BDYRK3JAK2
SCHEMBL4526745 1.00 PAK1 (0.54) PAK1PAK4GSK3BDYRK3JAK2
Hydrochloric Acid SCHEMBL4527611 0.99 PAK1 (0.53) PAK1PAK4GSK3BDYRK3JAK2
Hydrochloric Acid SCHEMBL4527604 0.99 PAK1 (0.53) PAK1PAK4GSK3BDYRK3JAK2
SCHEMBL13633932 0.85 IRAK4 (0.40) PAK1PAK4GSK3BDYRK3JAK2
SCHEMBL4526261 0.85 IRAK4 (0.40) PAK1PAK4GSK3BDYRK3JAK2
SCHEMBL13633951 0.85 IRAK4 (0.40) PAK1PAK4GSK3BDYRK3JAK2
Hydrochloric Acid SCHEMBL4526304 0.84 IRAK4 (0.40) PAK1PAK4GSK3BDYRK3JAK2
Hydrochloric Acid SCHEMBL4526299 0.84 IRAK4 (0.40) PAK1PAK4GSK3BDYRK3JAK2
SCHEMBL22054603 0.81 PAK1 (0.60) PAK1PAK4GSK3BDYRK3JAK2

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-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 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-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 PAK1 2492/4885PAK4 3321/4885GSK3B 695/4885

“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.