SCHEMBL6086152

SCHEMBL6086152

NC(=O)c1ccc(-c2ccnc(NCCNc3ccc([N+](=O)[O-])cn3)n2)cc1.O=[N+]([O-])c1ccc(NCCNc2ncc([N+](=O)[O-])c(-c3ccccc3)n2)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
MAPK8 P45983 3/20 0.45
MAPK10 P53779 1/20 0.45
CAMKK2 Q96RR4 5/20 0.43
GSK3B P49841 3/20 0.43
PIK3CG P48736 2/20 0.43
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.38
VCP P55072 3/20 0.38
HPGD P15428 1/20 0.37
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
IKBKB O14920 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
SCHEMBL5089535 0.89 MKNK1 (0.50) MKNK1MKNK2MAPK8MAPK10CAMKK2
SCHEMBL5089083 0.86 MKNK1 (0.47) MKNK1MKNK2MAPK8MAPK10CAMKK2
SCHEMBL5089224 0.84 SMN1; SMN2 (0.53) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL5091605 0.79 MKNK1 (0.49) MKNK1MKNK2GSK3BPIK3CGPOLB
SCHEMBL5093713 0.78 MKNK1 (0.47) MKNK1MKNK2MAPK8POLBSMN1; SMN2
SCHEMBL5093386 0.78 MKNK1 (0.53) MKNK1MKNK2GSK3BPIK3CGPOLB
SCHEMBL5095126 0.77 MKNK1 (0.51) MKNK1MKNK2MAPK8MAPK10GSK3B
SCHEMBL7844058 0.77 PIK3CG (0.56) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5089414 0.76 MAPT (0.59) MKNK1MKNK2MAPK8GSK3BPIK3CG
SCHEMBL5091517 0.76 MKNK1 (0.45) MKNK1MKNK2GSK3BPIK3CGPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 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 (1 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-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885MAPK8 849/4885

“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.