SCHEMBL3000687

SCHEMBL3000687

O=C(O)c1ccc2[nH]c3c(c2c1)C(=O)CCNC3=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.50
PLK4 O00444 1/20 0.50
DAPK3 O43293 1/20 0.50
DYRK3 O43781 1/20 0.50
JAK2 O60674 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PIM1 P11309 1/20 0.50
RPS6KB1 P23443 1/20 0.50
CDK2 P24941 1/20 0.50
MAPK1 P28482 1/20 0.50
KDR P35968 1/20 0.50
MAPK8 P45983 1/20 0.50
CLK2 P49760 1/20 0.50
CDK5 Q00535 1/20 0.50
DYRK1A Q13627 1/20 0.50
PIM3 Q86V86 1/20 0.50
MINK1 Q8N4C8 1/20 0.50
AURKB Q96GD4 1/20 0.50
PBK Q96KB5 1/20 0.50

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
SCHEMBL1144599 0.84 PLK4 (0.68) GSK3BPLK4DAPK3DYRK3JAK2
SCHEMBL7976105 0.80 CDK5 (0.47) GSK3BPLK4DAPK3DYRK3JAK2
SCHEMBL7976103 0.80 CDK5 (0.47) GSK3BPLK4DAPK3DYRK3JAK2
SCHEMBL7982365 0.80 KDM4E (0.70) GSK3BPLK4DAPK3DYRK3JAK2
SCHEMBL3001277 0.80 MAPT (0.52) GSK3BCDK2MAPK1CDK5PARP1
SCHEMBL7979445 0.80 KDM4E (0.52) GSK3BMAP4K4PIM1RPS6KB1CDK2
SCHEMBL7976297 0.80 CDK5 (0.55) GSK3BMAPK1KDRCDK5PARP1
SCHEMBL7979758 0.80 KDM4E (0.48) GSK3BPLK4DAPK3DYRK3JAK2
SCHEMBL2993682 0.77 MAPKAPK2 (0.79) MAPK1CDK5MAPKAPK2
SCHEMBL3427648 0.77 TUBB4A (0.68) MAPK1PARP1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001064680-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO claimed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US disclosed
WO-2001064680-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 GSK3B 1242/4885PLK4 616/4885DAPK3 268/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 GSK3B 1242/4885PLK4 616/4885DAPK3 268/4885

“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.