SCHEMBL14554238

SCHEMBL14554238

CN1CCN(c2ccc(NCCNc3ccc([N+](=O)[O-])c(N)n3)nc2-c2ccc(Cl)cc2Cl)C(=O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 1.00
GSK3A P49840 3/20 1.00
CDK1 P06493 2/20 0.56
CCNB2 O95067 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
HSD11B1 P28845 1/20 0.35
HTR6 P50406 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
PKM P14618 2/20 0.33
WDR5 P61964 1/20 0.32
KMT2A Q03164 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL24393904 0.91 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL29365958 0.91 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6069014 0.90 GSK3B (0.81) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909656 0.85 GSK3B (0.74) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL12036236 0.85 GSK3B (0.74) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5089561 0.85 GSK3B (0.74) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6069385 0.85 GSK3B (0.74) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5095078 0.85 GSK3B (0.74) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5095084 0.85 GSK3B (0.73) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4401599 0.83 GSK3B (0.85) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218571-A1 HYDROGEL DRUG DELIVERY COMPOSITION BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2022-07-14 US disclosed
US-20160024497-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes ALNYLAM PHARMACEUTICALS, INC. 2016-01-28 US disclosed
US-9029525-B2 Compositions and methods for inhibiting expression of GSK-3 genes ALNYLAM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-20130012572-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes BANK OF AMERICA, N.A. 2013-01-10 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 (2 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-20220218571-A1 HYDROGEL DRUG DELIVERY COMPOSITION PTH1R, PHPT1, PTMS GSK3B 4433/4885GSK3A 4522/4885CDK1 2227/4885
US-20130012572-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes GSK3A, GSK3B, GSKIP GSK3B 2/4885GSK3A 1/4885CDK1 1035/4885

“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.