SCHEMBL4398202

SCHEMBL4398202

O=[N+]([O-])c1ccc(NCCNc2nccc(-c3ccccc3-c3c[nH]cn3)n2)nc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
GSK3B P49841 2/20 0.45
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 4/20 0.40
DPP4 P27487 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
EIF2AK2 P19525 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
SCHEMBL4979093 0.83 SMN1; SMN2 (0.43) MKNK1MKNK2POLBSMN1; SMN2MEN1
SCHEMBL5100320 0.83 MKNK1 (0.49) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL5099502 0.81 CDK2 (0.44) MKNK1MKNK2GSK3BALDH1A1CDK4
SCHEMBL5091775 0.79 MAPT (0.43) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL7855524 0.77 MKNK1 (0.54) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL5094167 0.77 MKNK1 (0.54) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL5093386 0.76 MKNK1 (0.53) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL5094462 0.74 CDK2 (0.63) MKNK1MKNK2GSK3BMAPTCDK4
SCHEMBL5094353 0.74 MKNK1 (0.52) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL5100332 0.74 MMP2 (0.54) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090074886-A1 GSK-3 INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. 2009-03-19 US disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
EP-1490093-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-04-11 EP 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-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
US-20050054663-A1 Bone disorders; osteoporosis CHIRON CORPORATION 2005-03-10 US disclosed
EP-1490093-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA CHIRON CORPORATION (US) 2004-12-29 EP disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
WO-2003074072-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA CHIRON CORPORATION (US) 2003-09-12 WO disclosed
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
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 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 (5 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-20050054663-A1 Bone disorders; osteoporosis GSK3B, GSK3A, GSKIP MKNK1 341/4885MKNK2 491/4885GSK3B 1/4885
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 150/4885MKNK2 358/4885GSK3B 1/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885GSK3B 1/4885
US-20090074886-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP MKNK1 198/4885MKNK2 299/4885GSK3B 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.