Sugi Predict

Sugi Predict / Compounds / SCHEMBL4404427

SCHEMBL4404427

SCHEMBL4404427

Cc1c[nH]c(-c2ccc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.64
▸ GSK3A P49840 3/20 0.64
▸ CCNB2 O95067 2/20 0.64
▸ CDK1 P06493 2/20 0.64
▸ CCNB1 P14635 2/20 0.64
▸ CCNB3 Q8WWL7 2/20 0.64
▸ RPS6KB1 P23443 1/20 0.64
▸ CDK2 P24941 1/20 0.64
▸ LIMK1 P53667 1/20 0.64
▸ TAOK1 Q7L7X3 1/20 0.64
▸ SLK Q9H2G2 1/20 0.64
▸ CLK4 Q9HAZ1 1/20 0.64
▸ CSNK1G1 Q9HCP0 1/20 0.64
▸ IDH1 O75874 4/20 0.42
▸ TMPRSS4 Q9NRS4 1/20 0.38
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CRHR1 P34998 1/20 0.34
▸ ROS1 P08922 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
Laduviglusib SCHEMBL29381114 0.91 GSK3B (0.77) GSK3BGSK3ACCNB2CDK1CCNB1
Laduviglusib SCHEMBL29838591 0.91 GSK3B (0.77) GSK3BGSK3ACCNB2CDK1CCNB1
Laduviglusib SCHEMBL240280 0.91 GSK3B (0.77) GSK3BGSK3ACCNB2CDK1CCNB1
Laduviglusib SCHEMBL17165152 0.91 GSK3B (0.76) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL23564264 0.87 GSK3B (0.60) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL4400377 0.86 GSK3B (0.62) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL12552315 0.84 GSK3B (0.67) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL7249647 0.84 GSK3B (0.45) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL5094723 0.84 GSK3B (0.66) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL4398952 0.83 GSK3B (0.65) GSK3BGSK3ACCNB2CDK1CCNB1

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 21 patents — showing the first 20. 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
EP-1490093-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-04-11 — — EP 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
EP-1490093-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA CHIRON CORPORATION (US) 2004-12-29 — — EP disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 — — EP disclosed
WO-2003074072-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA CHIRON CORPORATION (US) 2003-09-12 — — WO 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 (5 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 GSK3B 1/4885GSK3A 2/4885CCNB2 1150/4885
US-20050203059-A1 Methods and compositions for treatment of ischemia PYGB, GSK3B, GSK3A GSK3B 2/4885GSK3A 3/4885CCNB2 1532/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885GSK3A 2/4885CCNB2 1241/4885
US-20090074886-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885CCNB2 722/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885GSK3A 2/4885CCNB2 1241/4885

“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.