SCHEMBL6182597

SCHEMBL6182597

COc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.49
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
PIK3CG P48736 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ABL1 P00519 4/20 0.46
BCR P11274 3/20 0.46
PRKCA P17252 3/20 0.46
CDK2 P24941 5/20 0.46
CDK4 P11802 4/20 0.46
EGFR P00533 1/20 0.46
SRC P12931 1/20 0.46
SLC2A1 P11166 1/20 0.45
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
CDK5 Q00535 2/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42

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
SCHEMBL6338970 0.88 CDK5 (0.59) GSK3BPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL6183492 0.85 GSK3B (0.51) GSK3BPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL6105305 0.85 EIF2AK2 (0.51) GSK3BPIK3CAPIK3CBPIK3CGCDK4
SCHEMBL6069055 0.85 GSK3B (0.55) GSK3BPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL6184859 0.85 GSK3B (0.53) GSK3BPIK3CAPIK3CBPIK3CGABL1
SCHEMBL6106995 0.85 EIF2AK2 (0.50) GSK3BPIK3CAPIK3CBPIK3CGCDK4
SCHEMBL6106606 0.85 EIF2AK2 (0.50) GSK3BPIK3CAPIK3CBPIK3CGCDK4
SCHEMBL14592155 0.84 GSK3B (0.49) GSK3BPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL6108267 0.82 GSK3B (0.51) GSK3BPIK3CAPIK3CBPIK3CGCDK4
SCHEMBL5457465 0.79 GSK3B (0.49) GSK3BPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341788-B1 PYRAZOLOPYRIDINES GLAXO GROUP LTD (GB) 2005-08-10 EP claimed
US-20040072853-A1 Therapeutic compounds CHAMBERLAIN STANLEY D (US) 2004-04-15 US claimed
US-7160897-B2 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-09 US disclosed
US-7160897-B2 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-09 US disclosed
EP-1341788-B1 PYRAZOLOPYRIDINES GLAXO GROUP LTD (GB) 2005-08-10 EP disclosed
US-6919352-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-07-19 US disclosed
US-20040072853-A1 Therapeutic compounds CHAMBERLAIN STANLEY D (US) 2004-04-15 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-20040072853-A1 Therapeutic compounds PCSK9, ABCB1, FURIN GSK3B 1270/4885PIK3CA 1498/4885PIK3CB 2407/4885

“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.