SCHEMBL5089406

SCHEMBL5089406

N#Cc1ccc(-c2nc(NCCN)ncc2-c2cnc[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.42
ZAP70 P43403 1/20 0.39
SYK P43405 1/20 0.39
MERTK Q12866 1/20 0.38
IDO1 P14902 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
ADORA1 P30542 3/20 0.35
ASIC3 Q9UHC3 1/20 0.35
CDK1 P06493 3/20 0.35
CLK4 Q9HAZ1 2/20 0.35
CCNB2 O95067 1/20 0.35
CCNB1 P14635 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
LIMK1 P53667 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
SLK Q9H2G2 1/20 0.35

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
SCHEMBL5099790 0.87 KDM1A (0.40) KDM1AMERTKIDO1HRH3ADORA1
SCHEMBL5100481 0.87 GSK3B (0.48) KDM1AMERTKIDO1HRH3CDK1
SCHEMBL7024960 0.85 ADORA1 (0.48) ZAP70SYKIDO1ADORA1CYP3A4
SCHEMBL5089828 0.82 GSK3B (0.44) KDM1AMERTKIDO1ADORA1CDK1
SCHEMBL5094245 0.81 CCNB2 (0.40) KDM1AMERTKCDK1CLK4CCNB2
SCHEMBL5089415 0.81 KDM1A (0.42) KDM1AZAP70SYKMERTKADORA1
SCHEMBL4403278 0.80 GSK3B (0.48) KDM1ACDK1CLK4CCNB2CCNB1
SCHEMBL4393950 0.80 GSK3B (0.50) KDM1AMERTKCDK1CLK4CCNB2
SCHEMBL5095121 0.78 KDM1A (0.35) KDM1AMERTKIDO1CDK1CLK4
SCHEMBL5091790 0.78 MAPT (0.41) KDM1AGSK3B

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 8 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

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 2249/4885ZAP70 919/4885SYK 786/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KDM1A 2494/4885ZAP70 941/4885SYK 783/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KDM1A 2494/4885ZAP70 941/4885SYK 783/4885

“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.