SCHEMBL5089224

SCHEMBL5089224

O=[N+]([O-])c1ccc(NCCNc2ncc([N+](=O)[O-])c(-c3ccccc3)n2)nc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 3/20 0.53
MKNK1 Q9BUB5 2/20 0.52
MKNK2 Q9HBH9 2/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
GSK3B P49841 1/20 0.49
MAPT P10636 5/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 1/20 0.45
DPP4 P27487 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5092446 0.86 GSK3B (0.46) SMN1; SMN2POLBMKNK1MKNK2MEN1
SCHEMBL5089504 0.86 PRKCQ (0.41) SMN1; SMN2MKNK1MKNK2MEN1KMT2A
SCHEMBL5100854 0.85 KDR (0.49) SMN1; SMN2POLBMKNK1MKNK2MEN1
SCHEMBL6086152 0.84 MKNK1 (0.46) SMN1; SMN2POLBMKNK1MKNK2MEN1
SCHEMBL7853227 0.84 SMN1; SMN2 (0.63) SMN1; SMN2POLBMKNK1MKNK2MEN1
SCHEMBL5089562 0.84 GSK3B (0.50) SMN1; SMN2POLBMKNK1MKNK2MEN1
SCHEMBL5089087 0.82 POLB (0.50) SMN1; SMN2POLBMKNK1MKNK2MEN1
SCHEMBL5089316 0.81 GSK3B (0.48) SMN1; SMN2POLBMKNK1MKNK2MEN1
SCHEMBL7857660 0.80 GSK3B (0.46) SMN1; SMN2POLBMKNK1MKNK2MEN1
SCHEMBL5089453 0.79 POLB (0.47) SMN1; SMN2POLBMKNK1MKNK2MEN1

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 13 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-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
CN-1312807-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2001-09-12 CN disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO 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 SMN1; SMN2 3937/4885POLB 624/4885MKNK1 150/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB SMN1; SMN2 3847/4885POLB 692/4885MKNK1 142/4885

“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.