SCHEMBL5100320

SCHEMBL5100320

O=[N+]([O-])c1ccc(NCCNc2nccc(-c3ccccc3-c3cccc4[nH]cnc34)n2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
GSK3B P49841 2/20 0.44
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 3/20 0.39
EIF2AK2 P19525 2/20 0.39
DPP4 P27487 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PLK1 P53350 1/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
CDK2 P24941 2/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK9 P50750 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
SCHEMBL4398202 0.83 MKNK1 (0.53) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL5094353 0.75 MKNK1 (0.52) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL5100332 0.74 MMP2 (0.54) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL7855524 0.73 MKNK1 (0.54) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL5094167 0.73 MKNK1 (0.54) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL5091379 0.73 MKNK1 (0.50) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL4398205 0.72 GSK3B (0.58) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL5093386 0.72 MKNK1 (0.53) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL5094462 0.71 CDK2 (0.63) MKNK1MKNK2GSK3BMAPTPLK1
SCHEMBL5089535 0.71 MKNK1 (0.50) MKNK1MKNK2GSK3BPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
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 MKNK1 150/4885MKNK2 358/4885GSK3B 1/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885GSK3B 1/4885

“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.