SCHEMBL5093306

SCHEMBL5093306

O=S(=O)(NCc1ccccc1)c1ccc(-c2ccnc(NCCNc3ccccn3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
MYLK Q15746 1/20 0.45
IKBKB O14920 3/20 0.45
KEAP1 Q14145 1/20 0.44
RAF1 P04049 5/20 0.43
BRAF P15056 5/20 0.43
FABP1 P07148 1/20 0.43
FABP6 P51161 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CA12 O43570 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL5089218 0.83 IKBKB (0.57) IKBKB
SCHEMBL5100516 0.81 VCP (0.47) FABP1FABP6CYP1A2MEN1KMT2A
SCHEMBL5093927 0.76 PIK3CA (0.52) PKMIKBKBLMNASMN1; SMN2MEN1
SCHEMBL5089327 0.76 CYP19A1 (0.46) BRAFSMN1; SMN2CYP1A2CYP3A4TP53
SCHEMBL24334967 0.76 PTGS2 (0.64) IKBKBPIK3CA
SCHEMBL5093422 0.74 MAPK8 (0.57) IKBKBHDAC6
SCHEMBL5100580 0.74 MEN1 (0.47) IKBKBCYP1A2MEN1KMT2A
SCHEMBL5100122 0.73 GPR39 (0.47) PKMSMN1; SMN2
SCHEMBL5100245 0.73 ABL1 (0.58) SMN1; SMN2CYP3A4HDAC6TP53
SCHEMBL7674772 0.72 DYRK1A (0.43) FABP1FABP6PIK3CA

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 9 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
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 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 PKM 369/4885MYLK 654/4885IKBKB 153/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PKM 356/4885MYLK 675/4885IKBKB 161/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PKM 356/4885MYLK 675/4885IKBKB 161/4885

“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.