SCHEMBL4176733

SCHEMBL4176733

Cc1cc(Nc2nc(Cl)nc3cscc23)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 2/20 0.61
PAK4 O96013 2/20 0.61
AURKA O14965 13/20 0.48
GSK3B P49841 10/20 0.48
AURKB Q96GD4 6/20 0.47
SRC P12931 5/20 0.47
NTRK1 P04629 3/20 0.47
EIF2AK2 P19525 1/20 0.46
GSK3A P49840 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4073719 0.80 PAK4 (0.48) PAK4GSK3BSRCNTRK1
SCHEMBL785406 0.80 AURKA (0.70) PLK4PAK4AURKAGSK3BAURKB
SCHEMBL30147253 0.80 AURKA (0.70) PLK4PAK4AURKAGSK3BAURKB
SCHEMBL30147254 0.79 AURKA (0.71) PLK4PAK4AURKAGSK3BAURKB
SCHEMBL22054562 0.79 AURKA (0.71) PLK4PAK4AURKAGSK3BAURKB
SCHEMBL22054198 0.77 PLK4 (0.62) PLK4PAK4AURKAGSK3BAURKB
SCHEMBL22055218 0.77 NTRK1 (0.59) PLK4PAK4AURKAGSK3BAURKB
SCHEMBL30147250 0.77 NTRK1 (0.59) PLK4PAK4AURKAGSK3BAURKB
SCHEMBL4184328 0.76 PLK4 (0.61) PLK4PAK4AURKAGSK3BAURKB
SCHEMBL24996468 0.75 PLK4 (0.63) PLK4PAK4AURKAGSK3BAURKB

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-20090247554-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-10-01 US disclosed
US-20090247554-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-10-01 US disclosed
US-20090247554-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-10-01 US disclosed
WO-2007117995-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-10-18 WO 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-20090247554-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PLK4 290/4885PAK4 150/4885AURKA 218/4885

“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.