SCHEMBL4860726

SCHEMBL4860726

COc1ccc(C2=NNC(=O)/C2=N/Nc2ccc(OC)c(-c3ccncc3)c2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
KIT P10721 1/20 0.40
PIK3CA P42336 1/20 0.40
CHEK1 O14757 2/20 0.39
MAP4K4 O95819 2/20 0.39
TYRO3 Q06418 2/20 0.39
MAP4K2 Q12851 2/20 0.39
ROCK1 Q13464 2/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
PAK4 O96013 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39
FLT3 P36888 1/20 0.39
MAPK9 P45984 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
SCHEMBL4860737 1.00 SLC2A1 (0.42) SLC2A1KITPIK3CACHEK1MAP4K4
SCHEMBL4866493 0.91 CHEK1 (0.42) KITCHEK1MAP4K4TYRO3MAP4K2
SCHEMBL4866485 0.91 CHEK1 (0.42) KITCHEK1MAP4K4TYRO3MAP4K2
SCHEMBL4865425 0.89 FLT3 (0.40) KITCHEK1MAP4K4TYRO3MAP4K2
SCHEMBL4865412 0.89 FLT3 (0.40) KITCHEK1MAP4K4TYRO3MAP4K2
SCHEMBL4866150 0.89 KIT (0.44) KITCHEK1MAP4K4TYRO3MAP4K2
SCHEMBL4866186 0.89 KIT (0.44) KITCHEK1MAP4K4TYRO3MAP4K2
SCHEMBL4866395 0.88 GSK3B (0.40) KITCHEK1MAP4K4TYRO3MAP4K2
SCHEMBL4866390 0.88 GSK3B (0.40) KITCHEK1MAP4K4TYRO3MAP4K2
SCHEMBL4867090 0.85 KIT (0.46) KITPIK3CACHEK1MAP4K4TYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452873-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-18 US disclosed
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-10-06 US disclosed
US-6916798-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-07-12 US disclosed
US-20040024040-A1 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-02-05 US disclosed
WO-2003011287-A1 PYRAZOLON DERIVATIVES AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-02-13 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 (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-20040024040-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A SLC2A1 2557/4885KIT 847/4885PIK3CA 118/4885
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A SLC2A1 2557/4885KIT 847/4885PIK3CA 118/4885

“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.