SCHEMBL5089415

SCHEMBL5089415

N#Cc1ccc(-c2nc(NCCN)ncc2-c2ncc[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.42
CDK1 P06493 4/20 0.40
GSK3B P49841 3/20 0.40
CCNB2 O95067 2/20 0.40
CCNB1 P14635 2/20 0.40
GSK3A P49840 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
LIMK1 P53667 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
SLK Q9H2G2 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
MERTK Q12866 1/20 0.38
ZAP70 P43403 1/20 0.37
SYK P43405 1/20 0.37
RIPK1 Q13546 1/20 0.36
ATR Q13535 1/20 0.34
ADORA1 P30542 3/20 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
SCHEMBL27538052 0.87 GSK3B (0.40) KDM1ACDK1GSK3BCCNB2CCNB1
SCHEMBL5099784 0.87 GSK3B (0.43) KDM1ACDK1GSK3BCCNB2CCNB1
SCHEMBL5024316 0.87 GSK3B (0.54) KDM1ACDK1GSK3BCCNB2CCNB1
SCHEMBL7024964 0.85 ADORA1 (0.46) CDK1GSK3BCCNB2CCNB1GSK3A
SCHEMBL5089846 0.83 GSK3B (0.49) KDM1ACDK1GSK3BCCNB2CCNB1
SCHEMBL5089226 0.81 GSK3B (0.60) KDM1ACDK1GSK3BCCNB2CCNB1
SCHEMBL5022437 0.81 GSK3B (0.46) KDM1ACDK1GSK3BCCNB2CCNB1
SCHEMBL14096867 0.81 GSK3B (0.47) KDM1ACDK1GSK3BCCNB2CCNB1
SCHEMBL14097002 0.81 GSK3B (0.49) KDM1ACDK1GSK3BCCNB2CCNB1
SCHEMBL5089406 0.81 KDM1A (0.42) KDM1ACDK1GSK3BCCNB2CCNB1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100506801-C Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2009-07-01 CN 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
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
CN-1592743-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2005-03-09 CN 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

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 KDM1A 2249/4885CDK1 7/4885GSK3B 1/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KDM1A 2494/4885CDK1 7/4885GSK3B 1/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KDM1A 2494/4885CDK1 7/4885GSK3B 1/4885

“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.