SCHEMBL5089098

SCHEMBL5089098

O=[N+]([O-])c1c[nH]c(CCCNc2nccc(-c3ccc(O)cc3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PIK3CA P42336 4/20 0.37
PIK3CB P42338 4/20 0.37
PIK3CG P48736 4/20 0.37
MKNK1 Q9BUB5 3/20 0.36
MKNK2 Q9HBH9 1/20 0.36
JAK2 O60674 1/20 0.36
RAF1 P04049 3/20 0.35
BRAF P15056 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PLK1 P53350 2/20 0.34
EIF2AK2 P19525 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
PRKCA P17252 1/20 0.34
DYRK1B Q9Y463 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33

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
SCHEMBL5094646 0.89 MAPK8 (0.42) PIM1PIM2PIK3CAPIK3CBPIK3CG
SCHEMBL5989559 0.83 CAMKK2 (0.46) PIK3CGIKBKBCHUKCCNT1CCNA2
SCHEMBL7019739 0.78 CAMKK2 (0.47) PIM1PIM2PIK3CGDYRK1BIKBKB
SCHEMBL5091272 0.74 JAK2 (0.41) PIM1PIM2MKNK1MKNK2JAK2
SCHEMBL5100147 0.72 POLB (0.48) EIF2AK2
SCHEMBL5089409 0.71 MAPK8 (0.54) PIM1PIM2PIK3CGMKNK1JAK2
SCHEMBL5093386 0.71 MKNK1 (0.53) PIK3CAPIK3CBPIK3CGMKNK1MKNK2
SCHEMBL1469231 0.69 PLK1 (0.57) PIM1MKNK1MKNK2BRAFPLK1
SCHEMBL5093429 0.69 MEN1 (0.41) PIM1PIM2MKNK1MKNK2JAK2
SCHEMBL5093897 0.68 MAPK8 (0.47) PIM1PIM2PIK3CGJAK2IKBKB

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
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 PIM1 743/4885PIM2 1371/4885PIK3CA 21/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PIM1 699/4885PIM2 1313/4885PIK3CA 19/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PIM1 699/4885PIM2 1313/4885PIK3CA 19/4885

“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.