SCHEMBL7253650

SCHEMBL7253650

O=[N+]([O-])c1ccc(NCCNc2ncc(-c3cnc[nH]3)c(-c3ccccc3C3CCNCC3)n2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
DPP4 P27487 4/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
MAPT P10636 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
INSR P06213 1/20 0.34
KDR P35968 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34

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
SCHEMBL7853884 0.86 SMN1; SMN2 (0.35) GSK3BMKNK1MKNK2DPP4ALDH1A1
SCHEMBL7253654 0.86 GSK3B (0.64) GSK3BMKNK1MKNK2DPP4ALDH1A1
SCHEMBL7250125 0.85 GSK3B (0.46) GSK3BMKNK1MKNK2DPP4ALDH1A1
SCHEMBL7250090 0.84 GSK3B (0.60) GSK3BMKNK1MKNK2DPP4ALDH1A1
SCHEMBL7256594 0.78 GSK3B (0.50) GSK3BMKNK1MKNK2DPP4ALDH1A1
SCHEMBL5091603 0.78 GSK3B (0.54) GSK3BMKNK1MKNK2DPP4ALDH1A1
SCHEMBL4403278 0.78 GSK3B (0.48) GSK3BMKNK1MKNK2DPP4POLB
SCHEMBL7249883 0.78 GSK3B (0.54) GSK3BMKNK1MKNK2DPP4POLB
SCHEMBL4393725 0.78 GSK3B (0.75) GSK3BMKNK1MKNK2DPP4ALDH1A1
SCHEMBL7255038 0.77 GSK3B (0.49) GSK3BMKNK1MKNK2DPP4ALDH1A1

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 1/4885MKNK1 150/4885MKNK2 358/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885MKNK1 142/4885MKNK2 345/4885

“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.