SCHEMBL7084492

SCHEMBL7084492

C[C](CNc1ccc([N+](=O)[O-])cc1)c1cnc([N+](=O)[O-])c(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
GSK3B P49841 2/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
NPBWR1 P48145 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
AGPAT2 O15120 1/20 0.37
IDO1 P14902 1/20 0.37
MAPT P10636 5/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CDK1 P06493 1/20 0.37

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
SCHEMBL4672350 0.81 GSK3B (0.51) PIK3CAPIK3CBPIK3CGGSK3BCA1
SCHEMBL4670339 0.79 PIK3CA (0.44) PIK3CAPIK3CBPIK3CGGSK3BCA1
SCHEMBL7693193 0.79 PIK3CA (0.44) PIK3CAPIK3CBPIK3CGGSK3BCA1
SCHEMBL4670338 0.78 GSK3B (0.46) PIK3CAPIK3CBPIK3CGGSK3BCA1
SCHEMBL7084499 0.76 PIK3CA (0.46) PIK3CAPIK3CBPIK3CGGSK3BCA1
SCHEMBL5076249 0.73 GSK3B (0.62) PIK3CAPIK3CBPIK3CGGSK3BNPBWR1
SCHEMBL7700241 0.73 S1PR4 (0.42) PIK3CAPIK3CBPIK3CGGSK3BNPBWR1
SCHEMBL4675036 0.71 GSK3B (0.51) PIK3CAPIK3CBPIK3CGGSK3BNPBWR1
SCHEMBL4672956 0.71 S1PR4 (0.42) PIK3CAPIK3CBPIK3CGGSK3BNPBWR1
SCHEMBL4670341 0.70 GSK3B (0.63) PIK3CAPIK3CBPIK3CGGSK3BMEN1

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-20030216574-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 NUSS JOHN M (US) 2003-11-20 US disclosed
EP-1237880-A2 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-09-11 EP disclosed
WO-2001044206-A9 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2002-05-23 WO disclosed
WO-2001044206-A1 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2001-06-21 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 (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-20030216574-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP PIK3CA 80/4885PIK3CB 148/4885PIK3CG 224/4885

“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.