SCHEMBL5094288

SCHEMBL5094288

O=C(NCc1ccccc1)c1ccc(-c2ccnc(NCCc3ccccn3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 2/20 0.49
ROCK2 O75116 1/20 0.49
RPS6KA5 O75582 1/20 0.49
MAP4K4 O95819 1/20 0.49
PRKCG P05129 1/20 0.49
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
AKT1 P31749 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
PRKX P51817 1/20 0.49
PRKCD Q05655 1/20 0.49
PRKG2 Q13237 1/20 0.49
ROCK1 Q13464 1/20 0.49
DYRK1A Q13627 1/20 0.49
PRKG1 Q13976 1/20 0.49

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
SCHEMBL5089243 0.83 MAPK8 (0.56) MAP4K4GSK3BCAMK2D
SCHEMBL5095318 0.82 KMT2A (0.56) GSK3BHPGDSCAMK2DKMT2A
SCHEMBL5089075 0.81 OGA (0.53) RAB9ANPC1LMNAALDH1A1
SCHEMBL14348407 0.80 CAMK2D (0.72) MAPK1ROCK2RPS6KA5MAP4K4PRKCG
SCHEMBL5099872 0.78 POLB (0.50) LMNAPOLBROCK2PRKACAGSK3A
SCHEMBL1629742 0.78 KDM4E (0.53) RAB9ANPC1LMNAPOLBHPGDS
SCHEMBL14082179 0.77 HPGDS (0.73) RAB9ANPC1LMNAPOLBMAPK1
SCHEMBL14021569 0.77 CAMK2D (0.55) RAB9ANPC1ROCK2ROCK1HDAC1
SCHEMBL14021206 0.77 KDM4E (0.55) RAB9ANPC1CAMK2DHPGDKDM4E
SCHEMBL14009843 0.76 MAPK1 (0.60) RAB9ANPC1LMNAMAPK1ROCK2

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 11 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
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 RAB9A 4060/4885NPC1 2111/4885LMNA 946/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB RAB9A 4093/4885NPC1 1941/4885LMNA 985/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB RAB9A 4093/4885NPC1 1941/4885LMNA 985/4885

“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.