SCHEMBL5100166

SCHEMBL5100166

O=C(CN(CCNc1ccc([N+](=O)[O-])cn1)c1nccc(-c2ccc(N3CCOCC3)cc2)n1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
JAK2 O60674 9/20 0.41
JAK3 P52333 5/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
NCOR1 O75376 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 2/20 0.40
DPP4 P27487 2/20 0.40
BMPR1B O00238 1/20 0.39
PLK4 O00444 1/20 0.39
CIT O14578 1/20 0.39
GAK O14976 1/20 0.39
OPA1 O60313 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL5099443 0.80 MKNK1 (0.49) MEN1KMT2AJAK2JAK3JAK1
SCHEMBL5091657 0.80 GSK3B (0.38) DPP4
SCHEMBL7198334 0.70 MEN1 (0.46) MEN1KMT2AJAK2JAK3MAPT
SCHEMBL5089535 0.68 MKNK1 (0.50) MEN1KMT2ADPP4MAPK8MAPK10
SCHEMBL5101064 0.68 KMT2A (0.43) MEN1KMT2AJAK2JAK3HDAC1
SCHEMBL7018823 0.67 SMN1; SMN2 (0.41) MEN1KMT2AMAPTDPP4ALDH1A1
SCHEMBL7151415 0.67 PIK3CA (0.40) MEN1KMT2AMAPTDPP4ALDH1A1
SCHEMBL7025559 0.67 SSTR2 (0.41) MEN1KMT2AMAPTCLK1ALDH1A1
SCHEMBL6085442 0.67 MAPT (0.43) MEN1KMT2AJAK2JAK3MAPT
SCHEMBL7015770 0.67 MAPT (0.42) MEN1KMT2AMAPTDPP4ALDH1A1

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 7 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-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 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 (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-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MEN1 3376/4885KMT2A 3652/4885JAK2 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.