SCHEMBL6539804

SCHEMBL6539804

COc1ccc(-c2nc(C(=NO)C3CC3)oc2-c2ccc(OCCNS(C)(=O)=O)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.36
ROCK2 O75116 2/20 0.36
MAP4K4 O95819 2/20 0.36
PIM1 P11309 2/20 0.36
PRKACA P17612 2/20 0.36
CDK2 P24941 2/20 0.36
HIPK2 Q9H2X6 2/20 0.36
DYRK3 O43781 1/20 0.36
PRKD3 O94806 1/20 0.36
CDK1 P06493 1/20 0.36
ROS1 P08922 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36
CLK2 P49760 1/20 0.36
IRAK1 P51617 1/20 0.36
RPS6KA3 P51812 1/20 0.36
PRKX P51817 1/20 0.36
CDK5 Q00535 1/20 0.36
PRKCD Q05655 1/20 0.36
MAP4K2 Q12851 1/20 0.36

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
SCHEMBL6539798 1.00 GSK3B (0.36) GSK3BROCK2MAP4K4PIM1PRKACA
SCHEMBL6539374 0.89 PPARD (0.37) GSK3BROCK2MAP4K4PIM1PRKACA
SCHEMBL6538909 0.87 PPARD (0.36) AKT1PPARDRCE1ACACBACACA
SCHEMBL6538915 0.87 PPARD (0.36) AKT1PPARDRCE1ACACBACACA
SCHEMBL6539865 0.87 PPARD (0.36) GSK3BCDK2MKNK2PPARDRCE1
SCHEMBL6539849 0.87 PPARD (0.36) GSK3BCDK2MKNK2PPARDRCE1
SCHEMBL6540113 0.82 TP53 (0.39) GSK3BROCK2MAP4K4PIM1PRKACA
SCHEMBL6539461 0.81 HRH3 (0.38) GSK3BROCK2MAP4K4PIM1PRKACA
SCHEMBL6539690 0.81 HPGD (0.42) GSK3BROCK2MAP4K4PIM1PRKACA
SCHEMBL6540567 0.79 ALDH1A1 (0.39) GSK3BROCK2MAP4K4PIM1PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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 (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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 GSK3B 3866/4885ROCK2 486/4885MAP4K4 3810/4885

“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.