SCHEMBL5401239

SCHEMBL5401239

CCN(C(C)=O)c1cccc(-c2ccnc(Nc3ccc([N+](=O)[O-])cc3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.65
PIK3CA P42336 5/20 0.55
PIK3CB P42338 5/20 0.55
PIK3CG P48736 5/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ABL1 P00519 5/20 0.50
BCR P11274 4/20 0.50
PRKCA P17252 3/20 0.50
EGFR P00533 1/20 0.50
SRC P12931 1/20 0.50
CDK2 P24941 2/20 0.47
RAB9A P51151 1/20 0.46
GSK3B P49841 3/20 0.46
PIM1 P11309 2/20 0.46
JAK2 O60674 2/20 0.46
JAK3 P52333 2/20 0.46
AURKA O14965 1/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46

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
SCHEMBL4739226 0.88 PLK1 (0.64) PLK1PIK3CAPIK3CGMEN1KMT2A
SCHEMBL4733865 0.85 MEN1 (0.60) PLK1PIK3CAPIK3CBPIK3CGMEN1
SCHEMBL4735604 0.80 PLK1 (1.00) PLK1PIK3CAPIK3CBPIK3CGMEN1
SCHEMBL4732832 0.79 PLK1 (0.74) PLK1PIK3CAPIK3CBPIK3CGMEN1
SCHEMBL4737541 0.77 PLK1 (0.61) PLK1PIK3CGMEN1KMT2AABL1
SCHEMBL4734426 0.77 PLK1 (0.80) PLK1PIK3CAPIK3CBPIK3CGMEN1
SCHEMBL4733185 0.76 PLK1 (0.79) PLK1PIK3CAPIK3CBPIK3CGMEN1
SCHEMBL4733651 0.75 PLK1 (0.84) PLK1PIK3CAPIK3CBPIK3CGMEN1
SCHEMBL4735260 0.74 PLK1 (0.68) PLK1PIK3CGMEN1KMT2AABL1
SCHEMBL3864320 0.74 ABL1 (0.76) PLK1PIK3CAPIK3CBPIK3CGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US claimed
JP-2007500179-A 2007-01-11 JP claimed
CN-1860104-A 2-aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LTD (GB) 2006-11-08 CN claimed
EP-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP claimed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO claimed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
CN-1860104-A 2-aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LTD (GB) 2006-11-08 CN disclosed
EP-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 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-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors GRK3, NCOR1, GRM3 PLK1 1603/4885PIK3CA 780/4885PIK3CB 1461/4885

“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.