SCHEMBL7249883

SCHEMBL7249883

O=[N+]([O-])c1ccc(NCCNc2ncc(-c3cnc[nH]3)c(-c3ccc(F)cc3F)n2)nc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.54
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3A P49840 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALOX12 P18054 1/20 0.38
DPP4 P27487 2/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.36
HSPB1 P04792 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7249886 0.85 GSK3B (0.73) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL7852739 0.85 GSK3B (0.38) GSK3BMEN1KMT2AALOX12MAPT
SCHEMBL4393725 0.85 GSK3B (0.75) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5091603 0.85 GSK3B (0.54) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL7250090 0.83 GSK3B (0.60) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL7027680 0.82 GSK3B (0.49) GSK3BMKNK1MKNK2MEN1KMT2A
SCHEMBL7256594 0.82 GSK3B (0.50) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5100956 0.81 GSK3B (0.48) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL7250106 0.81 GSK3B (0.55) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL7255038 0.80 GSK3B (0.49) GSK3BMKNK1MKNK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885CCNB2 1150/4885CDK1 7/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885CCNB2 1241/4885CDK1 7/4885

“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.