SCHEMBL5093759

SCHEMBL5093759

CCOC(=O)c1cnc(NCCNc2ccc([N+](=O)[O-])cn2)nc1NCc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 7/20 0.44
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SIRT5 Q9NXA8 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
PDE5A O76074 1/20 0.40
AGTR1 P30556 3/20 0.40
AGTR2 P50052 3/20 0.40

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
SCHEMBL5100849 0.91 JAK2 (0.46) MAPK8RAB9ANPC1KMT2AMAPT
SCHEMBL6086128 0.88 SMN1; SMN2 (0.47) MAPK8RAB9ANPC1KMT2AMAPT
SCHEMBL5091748 0.86 MAPK8 (0.47) MAPK8RAB9ANPC1MAPTKDM4E
SCHEMBL5100500 0.83 RAB9A (0.45) MAPK8RAB9ANPC1KMT2AMAPT
SCHEMBL5094413 0.82 MEN1 (0.47) RAB9ANPC1KMT2AMAPTKDM4E
SCHEMBL5095389 0.80 MAPK8 (0.46) MAPK8RAB9ANPC1KMT2AMAPT
SCHEMBL5099981 0.80 MAPK8 (0.49) MAPK8RAB9ANPC1KMT2AMAPT
SCHEMBL5092017 0.79 RAB9A (0.48) MAPK8RAB9ANPC1KMT2AMAPT
SCHEMBL5093426 0.79 PKM (0.49) MAPK8RAB9ANPC1KMT2AMAPT
SCHEMBL5094266 0.79 MAPK8 (0.47) MAPK8RAB9ANPC1MAPTKDM4E

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 13 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
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
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 MAPK8 878/4885RAB9A 4060/4885NPC1 2111/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK8 849/4885RAB9A 4093/4885NPC1 1941/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK8 849/4885RAB9A 4093/4885NPC1 1941/4885

“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.