SCHEMBL5099299

SCHEMBL5099299

NCCNc1ncc(CN2CCOCC2)c(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 2/20 0.48
SLC2A2 P11168 1/20 0.43
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
SIK2 Q9H0K1 1/20 0.39
STK26 Q9P289 1/20 0.39
STK24 Q9Y6E0 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 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
SCHEMBL27538115 0.82 CYP2A13 (0.55) CYP2A13SLC2A2KDM4EMAPK1ALDH1A1
SCHEMBL4395990 0.81 GSK3B (0.61) CYP2A13SLC2A2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5089445 0.81 FGFR1 (0.43) CYP2A13SLC2A2KDM4EMAPK1ALDH1A1
SCHEMBL4400415 0.81 GSK3B (0.63) CYP2A13SLC2A2KDM4EMAPK1ALDH1A1
SCHEMBL5100238 0.80 GSK3B (0.43) GSK3BCDK1GSK3A
SCHEMBL6068869 0.76 CYP2A13 (0.56) CYP2A13SLC2A2KDM4EMAPK1ALDH1A1
SCHEMBL4972403 0.73 CYP2A13 (0.56) CYP2A13SLC2A2KDM4EMAPK1ALDH1A1
SCHEMBL7100351 0.69 GSK3B (0.45) CYP2A13SLC2A2KDM4EMAPK1ALDH1A1
SCHEMBL7101580 0.69 CYP2A13 (0.45) CYP2A13SLC2A2KDM4EMAPK1ALDH1A1
SCHEMBL7100354 0.68 GSK3B (0.41) CYP2A13SLC2A2KDM4EMAPK1ALDH1A1

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 12 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
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 CYP2A13 1736/4885SLC2A2 2677/4885KDM4E 2320/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CYP2A13 1630/4885SLC2A2 2668/4885KDM4E 2567/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CYP2A13 1630/4885SLC2A2 2668/4885KDM4E 2567/4885

“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.