SCHEMBL2993573

SCHEMBL2993573

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 1.00
PLK4 O00444 1/20 1.00
DAPK3 O43293 1/20 1.00
DYRK3 O43781 1/20 1.00
JAK2 O60674 1/20 1.00
PRKD3 O94806 1/20 1.00
MAP4K4 O95819 1/20 1.00
PIM1 P11309 1/20 1.00
RPS6KB1 P23443 1/20 1.00
CDK2 P24941 1/20 1.00
KDR P35968 1/20 1.00
MAPK8 P45983 1/20 1.00
CLK2 P49760 1/20 1.00
GSK3B P49841 1/20 1.00
CDK5 Q00535 1/20 1.00
DYRK1A Q13627 1/20 1.00
PIM3 Q86V86 1/20 1.00
MINK1 Q8N4C8 1/20 1.00
AURKB Q96GD4 1/20 1.00
PBK Q96KB5 1/20 1.00

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
SCHEMBL3001918 0.87 GSK3B (0.77) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL5239415 0.82 KDM4E (1.00) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL5583148 0.81 KDM4E (0.98) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL1144599 0.81 PLK4 (0.68) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL1658107 0.77 KDM4E (0.71) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL4255908 0.77 KDM4E (0.71) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL2993719 0.77 MAPKAPK2 (0.78) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL6241086 0.77 KDM4E (1.00) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL7500905 0.77 PLK4 (0.62) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL68639 0.77 KDM4E (0.85) MAPK1PLK4DAPK3DYRK3JAK2

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-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

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 MAPK1 33/4885PLK4 616/4885DAPK3 268/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPK1 33/4885PLK4 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.