SCHEMBL4861456

SCHEMBL4861456

COc1ccc(C2=NNC(=O)/C2=C/N(C)C)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
ALDH1A1 P00352 2/20 0.60
PDE4B Q07343 13/20 0.46
CHEK1 O14757 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
RET P07949 1/20 0.45
MET P08581 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
LTK P29376 1/20 0.45
GRK5 P34947 1/20 0.45
FLT3 P36888 1/20 0.45
MAPK9 P45984 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CLK2 P49760 1/20 0.45
CDK9 P50750 1/20 0.45

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
SCHEMBL4861458 1.00 LMNA (0.60) LMNAALDH1A1PDE4BCHEK1DAPK3
SCHEMBL4858516 0.85 ALDH1A1 (0.58) LMNAALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL14003588 0.85 ALDH1A1 (0.58) LMNAALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL4863077 0.70 CA2 (0.45) CHEK1DAPK3JAK2PRKD3MAP4K4
SCHEMBL4863071 0.70 CA2 (0.45) CHEK1DAPK3JAK2PRKD3MAP4K4
SCHEMBL10374039 0.67 MAOB (0.50) LMNAPDE4BPDE4APDE4CPDE4D
SCHEMBL4866448 0.66 CHEK1 (0.41) LMNAALDH1A1PDE4BCHEK1DAPK3
SCHEMBL4866429 0.66 CHEK1 (0.41) LMNAALDH1A1PDE4BCHEK1DAPK3
SCHEMBL6858182 0.66 KDR (0.57) LMNAALDH1A1ALKL3MBTL1
SCHEMBL6858185 0.66 KDR (0.57) LMNAALDH1A1ALKL3MBTL1

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 LMNA 828/4885ALDH1A1 3536/4885PDE4B 3094/4885
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A LMNA 828/4885ALDH1A1 3536/4885PDE4B 3094/4885

“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.