SCHEMBL5089445

SCHEMBL5089445

CC(C)(C)OC(=O)NCCNc1ncc(CN2CCOCC2)c(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MERTK Q12866 1/20 0.41
IDO1 P14902 2/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC2A2 P11168 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
XBP1 P17861 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2A13 Q16696 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
SCHEMBL5095055 0.85 IDO1 (0.46) FGFR1IDO1ALDH1A1HTTHPGD
SCHEMBL5099299 0.81 CYP2A13 (0.48) FGFR1HCRTR1HCRTR2MERTKALDH1A1
SCHEMBL6069493 0.81 SMN1; SMN2 (0.45) HCRTR1HCRTR2IDO1ALDH1A1HTT
SCHEMBL5089156 0.80 IDO1 (0.44) FGFR1IDO1ALDH1A1HTTHPGD
SCHEMBL5100143 0.77 ADORA3 (0.45) FGFR1IDO1ALDH1A1HTTHPGD
SCHEMBL4395990 0.76 GSK3B (0.61) ALDH1A1SMN1; SMN2MEN1KMT2ASLC2A2
SCHEMBL4400415 0.76 GSK3B (0.63) ALDH1A1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL27538115 0.72 CYP2A13 (0.55) HCRTR1HCRTR2ALDH1A1HTTKDM4E
SCHEMBL4675401 0.69 IDO1 (0.43) IDO1ALDH1A1HTTHPGDKDM4E
SCHEMBL30834334 0.69 MOK (0.63)

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 FGFR1 1069/4885HCRTR1 2750/4885HCRTR2 3377/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB FGFR1 1041/4885HCRTR1 2889/4885HCRTR2 3565/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB FGFR1 1041/4885HCRTR1 2889/4885HCRTR2 3565/4885

“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.