SCHEMBL5089414

SCHEMBL5089414

CCOC(=O)c1ccc(-c2ccnc(NCCNc3ccc([N+](=O)[O-])cn3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
KDM4E B2RXH2 1/20 0.59
PKM P14618 1/20 0.48
BRAF P15056 1/20 0.47
KDR P35968 1/20 0.47
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
PIK3CA P42336 3/20 0.43
PIK3CB P42338 3/20 0.43
PIK3CG P48736 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK8 P45983 1/20 0.42
POLB P06746 1/20 0.42
DPP4 P27487 1/20 0.42
JMJD7 P0C870 1/20 0.41
NFKB1 P19838 1/20 0.40
MAPK1 P28482 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
SCHEMBL5089535 0.86 MKNK1 (0.50) MKNK1MKNK2PIK3CAPIK3CBPIK3CG
SCHEMBL5089546 0.84 LOXL2 (0.46) MAPTRAB9ANPC1BRAFMKNK1
SCHEMBL5093386 0.83 MKNK1 (0.53) MAPTRAB9ANPC1MKNK1MKNK2
SCHEMBL5089083 0.82 MKNK1 (0.47) MKNK1MKNK2PIK3CAPIK3CBPIK3CG
SCHEMBL5094808 0.82 GAA (0.52) MAPTKDM4EMKNK1MKNK2PIK3CA
SCHEMBL5099424 0.81 MKNK1 (0.42) MAPTRAB9ANPC1KDM4EMKNK1
SCHEMBL7855524 0.80 MKNK1 (0.54) MAPTRAB9ANPC1MKNK1MKNK2
SCHEMBL5093713 0.80 MKNK1 (0.47) MAPTRAB9ANPC1MKNK1MKNK2
SCHEMBL5094370 0.80 KMT2A (0.55) MAPTRAB9ANPC1PIK3CAPIK3CB
SCHEMBL5092303 0.80 MAPT (0.51) MAPTRAB9ANPC1KDM4EPKM

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 4060/4885NPC1 2111/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885RAB9A 4093/4885NPC1 1941/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885RAB9A 4093/4885NPC1 1941/4885

“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.