SCHEMBL7250090

SCHEMBL7250090

O=[N+]([O-])c1ccc(NCCNc2ncc(-c3cnc[nH]3)c(-c3ccccc3Cl)n2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.60
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CDK1 P06493 3/20 0.44
GSK3A P49840 3/20 0.44
CCNB2 O95067 2/20 0.44
CCNB1 P14635 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 4/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
DPP4 P27487 2/20 0.39
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 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
SCHEMBL4393725 0.90 GSK3B (0.75) GSK3BMEN1KMT2ACDK1GSK3A
SCHEMBL7250106 0.85 GSK3B (0.55) GSK3BMEN1KMT2ACDK1GSK3A
SCHEMBL7022502 0.84 MEN1 (0.43) GSK3BMEN1KMT2AMKNK1MKNK2
SCHEMBL6635345 0.84 GSK3B (0.82) GSK3BMEN1KMT2ACDK1GSK3A
SCHEMBL7253650 0.84 GSK3B (0.46) GSK3BMEN1KMT2ACDK1GSK3A
SCHEMBL7250125 0.84 GSK3B (0.46) GSK3BMEN1KMT2AMKNK1MKNK2
SCHEMBL7256594 0.83 GSK3B (0.50) GSK3BMEN1KMT2ACDK1GSK3A
SCHEMBL7249883 0.83 GSK3B (0.54) GSK3BMEN1KMT2ACDK1GSK3A
SCHEMBL5091603 0.83 GSK3B (0.54) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL7255038 0.82 GSK3B (0.49) GSK3BMEN1KMT2AMKNK1MKNK2

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 3 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-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 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 1/4885MEN1 3334/4885KMT2A 3490/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885MEN1 3376/4885KMT2A 3652/4885

“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.