SCHEMBL5089327

SCHEMBL5089327

O=[N+]([O-])c1ccc(NCCNc2nccc(-c3ccc(S(=O)(=O)NCc4cccc(Br)c4)cc3)n2)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.46
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
EGFR P00533 2/20 0.40
IGF1R P08069 2/20 0.40
BRAF P15056 4/20 0.40
MAPT P10636 2/20 0.38
PAX8 Q06710 1/20 0.38
GSK3B P49841 1/20 0.38
PLK1 P53350 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL5092931 0.85 ALOX5 (0.50) MKNK1MKNK2PIK3CAPIK3CBPIK3CG
SCHEMBL5099383 0.82 ALOX5 (0.49) MKNK1MKNK2PIK3CAPIK3CBPIK3CG
SCHEMBL5091614 0.82 SMN1; SMN2 (0.55) MKNK1MKNK2POLBSMN1; SMN2EGFR
SCHEMBL5095126 0.79 MKNK1 (0.51) MKNK1MKNK2PIK3CAPIK3CBPIK3CG
SCHEMBL5093386 0.76 MKNK1 (0.53) MKNK1MKNK2PIK3CAPIK3CBPIK3CG
SCHEMBL5093306 0.76 PKM (0.47) PIK3CASMN1; SMN2CYP1A2CYP3A4BRAF
SCHEMBL5095039 0.76 CDC7 (0.46) MKNK1MKNK2PIK3CAPIK3CBPIK3CG
SCHEMBL5095215 0.76 MAPT (0.47) MKNK1MKNK2POLBSMN1; SMN2CYP1A2
SCHEMBL5100278 0.76 MKNK1 (0.45) MKNK1MKNK2POLBSMN1; SMN2CYP3A4
SCHEMBL5100051 0.76 MAPT (0.44) MKNK1MKNK2POLBSMN1; SMN2EGFR

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 11 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
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP 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
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 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 CYP19A1 252/4885MKNK1 150/4885MKNK2 358/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CYP19A1 229/4885MKNK1 142/4885MKNK2 345/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CYP19A1 229/4885MKNK1 142/4885MKNK2 345/4885

“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.