SCHEMBL5089397

SCHEMBL5089397

CCOC(=O)c1cnc(NCCNc2ccc([N+](=O)[O-])c(N)n2)nc1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
GSK3B P49841 4/20 0.43
GAA P10253 8/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 2/20 0.42
STAT6 P42226 1/20 0.42
GSK3A P49840 3/20 0.41
CDK1 P06493 2/20 0.41
LMNA P02545 2/20 0.40
MC4R P32245 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTK2B Q14289 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CCNB2 O95067 1/20 0.40
CCNB1 P14635 1/20 0.40

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
SCHEMBL6085617 0.89 STAT6 (0.45) MAPTGSK3BMAPK1STAT6GSK3A
SCHEMBL6085442 0.87 MAPT (0.43) MAPTGSK3BGAAL3MBTL1SMN1; SMN2
SCHEMBL5089374 0.84 GSK3B (0.42) MAPTGSK3BL3MBTL1SMN1; SMN2TDP1
SCHEMBL5100090 0.84 GSK3B (0.42) MAPTGSK3BSMN1; SMN2MAPK1GSK3A
SCHEMBL5099914 0.80 BRD4 (0.44) MAPTGAAL3MBTL1SMN1; SMN2LMNA
SCHEMBL5093484 0.79 ALDH1A1 (0.47) MAPTGSK3BGAAL3MBTL1KDM4E
SCHEMBL5100370 0.77 GSK3B (0.65) MAPTGSK3BGAAL3MBTL1TDP1
SCHEMBL5091616 0.76 ALDH1A1 (0.40) MAPTL3MBTL1SMN1; SMN2TDP1MAPK1
SCHEMBL7198334 0.76 MEN1 (0.46) MAPTGSK3BGAASTAT6MEN1
SCHEMBL5100135 0.75 GSK3B (0.42) MAPTGSK3BMAPK1GSK3ACDK1

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 11 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-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
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 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 (3 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 MAPT 134/4885GSK3B 1/4885GAA 954/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885GSK3B 1/4885GAA 937/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885GSK3B 1/4885GAA 937/4885

“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.