SCHEMBL5099443

SCHEMBL5099443

O=[N+]([O-])c1ccc(NCCNc2nccc(-c3ccc(N4CCOCC4)cc3)n2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 1/20 0.49
JAK2 O60674 15/20 0.48
JAK3 P52333 10/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
JAK1 P23458 6/20 0.46
TYK2 P29597 4/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
NCOR1 O75376 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DPP4 P27487 1/20 0.45
BMPR1B O00238 1/20 0.43

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
SCHEMBL5093386 0.82 MKNK1 (0.53) MKNK1MKNK2ALDH1A1CYP1A2MEN1
SCHEMBL7198334 0.81 MEN1 (0.46) MKNK1MKNK2JAK2JAK3ALDH1A1
SCHEMBL7855524 0.81 MKNK1 (0.54) MKNK1MKNK2ALDH1A1MEN1KMT2A
SCHEMBL5100166 0.80 MEN1 (0.42) JAK2JAK3ALDH1A1CYP1A2CYP2C9
SCHEMBL5095126 0.80 MKNK1 (0.51) MKNK1MKNK2MEN1KMT2ACDK2
SCHEMBL5089535 0.79 MKNK1 (0.50) MKNK1MKNK2MEN1KMT2ADPP4
SCHEMBL5100325 0.79 MKNK2 (0.75) MKNK1MKNK2ALDH1A1CYP1A2CYP2C9
SCHEMBL5089683 0.78 ALDH1A1 (0.45) MKNK1MKNK2JAK2ALDH1A1CYP1A2
SCHEMBL4398205 0.78 GSK3B (0.58) MKNK1MKNK2ALDH1A1MEN1KMT2A
SCHEMBL6085442 0.78 MAPT (0.43) JAK2JAK3ALDH1A1MEN1KMT2A

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 MKNK1 150/4885MKNK2 358/4885JAK2 598/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885JAK2 597/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885JAK2 597/4885

“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.