SCHEMBL4417355

SCHEMBL4417355

NC1=NC(N)C(CCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)([N+](=O)[O-])C=C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.59
CDK1 P06493 3/20 0.59
GSK3A P49840 3/20 0.59
CCNB2 O95067 2/20 0.59
CCNB1 P14635 2/20 0.59
CCNB3 Q8WWL7 2/20 0.59
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
PRKCQ Q04759 2/20 0.32
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
NPBWR1 P48145 1/20 0.30

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
Hydrochloric Acid SCHEMBL4425167 0.99 GSK3B (0.59) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL23780643 0.83 GSK3B (0.60) GSK3BCDK1GSK3ACCNB2CCNB1
Hydrochloric Acid SCHEMBL18813497 0.82 GSK3B (0.59) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL5076231 0.79 GSK3B (0.38) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL5091372 0.77 GSK3B (0.81) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL29381876 0.75 GSK3B (1.00) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL29357223 0.75 GSK3B (1.00) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4391839 0.75 GSK3B (1.00) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL29402871 0.74 GSK3B (1.00) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL29408793 0.74 GSK3B (1.00) GSK3BCDK1GSK3ACCNB2CCNB1

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
EP-1465610-B1 USE OF A GSK-3BETA INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR INCREASING BONE FORMATION HOFFMANN LA ROCHE (CH) 2008-12-31 EP claimed
EP-1465610-A1 USE OF A GSK-3BETA INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR INCREASING BONE FORMATION F. HOFFMANN-LA ROCHE AG (CH) 2004-10-13 EP claimed
WO-2003057202-A1 USE OF A GSK-3BETA INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR INCREASING BONE FORMATION F. HOFFMANN-LA ROCHE AG (CH) 2003-07-17 WO claimed
US-7476676-B2 Methods for increasing bone formation using inhibitors of glycogen synthase kinase-3β ROCHE PALO ALTO LLC (US) 2009-01-13 US disclosed
EP-1465610-B1 USE OF A GSK-3BETA INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR INCREASING BONE FORMATION HOFFMANN LA ROCHE (CH) 2008-12-31 EP disclosed
EP-1465610-A1 USE OF A GSK-3BETA INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR INCREASING BONE FORMATION F. HOFFMANN-LA ROCHE AG (CH) 2004-10-13 EP disclosed
US-20030176484-A1 Methods for increasing bone formation using inhibitors of glycogen synthase kinase-3 betta SYNTEX (U.S.A.) LLC 2003-09-18 US disclosed
WO-2003057202-A1 USE OF A GSK-3BETA INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR INCREASING BONE FORMATION F. HOFFMANN-LA ROCHE AG (CH) 2003-07-17 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 (1 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-20030176484-A1 Methods for increasing bone formation using inhibitors of glycogen synthase kinase-3 betta GSK3B, GSK3A, PHKA1 GSK3B 1/4885CDK1 98/4885GSK3A 2/4885

“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.