SCHEMBL5099166

SCHEMBL5099166

CCOC(=O)c1cnc(NCCNc2ccc([N+](=O)[O-])cn2)nc1-c1ccc(C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GSK3B P49841 1/20 0.43
MAPK8 P45983 1/20 0.43
POLB P06746 2/20 0.41
DPP4 P27487 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL5092303 0.92 MAPT (0.51) MAPTRAB9AKDM4ENPC1GSK3B
SCHEMBL5094666 0.90 MAPT (0.49) MAPTRAB9AKDM4ENPC1GSK3B
SCHEMBL5094966 0.90 MAPT (0.46) MAPTRAB9AKDM4ENPC1GSK3B
SCHEMBL5092547 0.90 MAPT (0.46) MAPTRAB9AKDM4ENPC1GSK3B
SCHEMBL5091322 0.90 GSK3B (0.47) MAPTRAB9AKDM4ENPC1GSK3B
SCHEMBL5098932 0.90 FOS (0.47) MAPTRAB9AKDM4ENPC1GSK3B
SCHEMBL5092017 0.90 RAB9A (0.48) MAPTRAB9AKDM4ENPC1GSK3B
SCHEMBL7152632 0.89 GSK3B (0.46) MAPTRAB9AKDM4ENPC1GSK3B
SCHEMBL7152628 0.89 GSK3B (0.46) MAPTRAB9AKDM4ENPC1GSK3B
SCHEMBL5094752 0.89 MAPT (0.47) MAPTRAB9AKDM4ENPC1GSK3B

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
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
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 (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 134/4885RAB9A 4060/4885KDM4E 2320/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885RAB9A 4093/4885KDM4E 2567/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885RAB9A 4093/4885KDM4E 2567/4885

“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.