SCHEMBL5089683

SCHEMBL5089683

N#Cc1ccc(-c2cc(N3CCOCC3)nc(NCCNc3ccc([N+](=O)[O-])cn3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
JAK2 O60674 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
DPP4 P27487 4/20 0.41
DPP7 Q9UHL4 1/20 0.41
PIK3CA P42336 6/20 0.41
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
AURKA O14965 1/20 0.40
APAF1 O14727 1/20 0.39
NSD2 O96028 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5099443 0.78 MKNK1 (0.49) ALDH1A1CYP1A2CYP2C9HPGDKMT2A
SCHEMBL5091600 0.78 GSK3B (0.53) ALDH1A1KMT2AMEN1MKNK1MKNK2
SCHEMBL5093866 0.77 DPP4 (0.45) ALDH1A1MKNK1MKNK2DPP4DPP7
SCHEMBL27541735 0.76 PIK3CA (0.47) JAK2PIK3CAPIK3CBPIK3CG
SCHEMBL7674236 0.74 DPP4 (0.40) ALDH1A1MKNK1MKNK2DPP4DPP7
SCHEMBL27538113 0.73 RAF1 (0.47) PIK3CAPIK3CBPIK3CG
SCHEMBL5100736 0.73 DPP4 (0.39) ALDH1A1MKNK1MKNK2DPP4DPP7
Trifluoroacetic Acid SCHEMBL5089342 0.73 PIK3CA (0.43) JAK2PIK3CAPIK3CBPIK3CG
SCHEMBL5092321 0.73 MAPK8 (0.44) ALDH1A1CYP1A2HPGDKMT2AMEN1
SCHEMBL5092446 0.72 GSK3B (0.46) ALDH1A1KMT2AMEN1MKNK1MKNK2

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
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
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 (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 ALDH1A1 3522/4885CYP1A2 2168/4885CYP2C9 2197/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3532/4885CYP1A2 2056/4885CYP2C9 2051/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3532/4885CYP1A2 2056/4885CYP2C9 2051/4885

“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.