Sugi Predict

Sugi Predict / Compounds / SCHEMBL4399172

SCHEMBL4399172

SCHEMBL4399172

CN1CCN(c2cnc(NCCNc3ccc([N+](=O)[O-])c(N)n3)nc2-c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.81
▸ GSK3A P49840 4/20 0.72
▸ CDK1 P06493 3/20 0.72
▸ CCNB2 O95067 2/20 0.65
▸ CCNB1 P14635 2/20 0.65
▸ CCNB3 Q8WWL7 2/20 0.65
▸ RPS6KB1 P23443 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ TAOK1 Q7L7X3 1/20 0.39
▸ SLK Q9H2G2 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ CSNK1G1 Q9HCP0 1/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ PAK1 Q13153 1/20 0.37
▸ PKN1 Q16512 1/20 0.37
▸ PRKCQ Q04759 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL4393762 0.91 GSK3B (0.72) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4401829 0.91 GSK3B (0.72) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL24393904 0.89 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL29365958 0.89 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5094635 0.88 GSK3B (0.67) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4401599 0.88 GSK3B (0.85) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5091753 0.88 GSK3B (0.74) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5093455 0.87 GSK3B (0.69) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4404409 0.86 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4401816 0.86 GSK3B (0.77) GSK3BGSK3ACDK1CCNB2CCNB1

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 19 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
EP-1653970-A4 GSK-3 INHIBITORS AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-10-15 — — EP disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 — — US disclosed
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
EP-1653970-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2006-05-10 — — EP 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-20050203059-A1 Methods and compositions for treatment of ischemia HARRISON STEPHEN D (US) 2005-09-15 — — US disclosed
WO-2005039485-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2005-05-06 — — WO disclosed
US-20050054663-A1 Bone disorders; osteoporosis CHIRON CORPORATION 2005-03-10 — — 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
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 — — WO 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 (6 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 GSK3B 1/4885GSK3A 2/4885CDK1 42/4885
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885GSK3A 2/4885CDK1 7/4885
US-20050203059-A1 Methods and compositions for treatment of ischemia PYGB, GSK3B, GSK3A GSK3B 2/4885GSK3A 3/4885CDK1 262/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885GSK3A 2/4885CDK1 7/4885
US-20090074886-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885CDK1 26/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885GSK3A 2/4885CDK1 7/4885

“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.