SCHEMBL5089665

SCHEMBL5089665

NCCc1ncc(-n2ccnc2)c(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
IDO1 P14902 3/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
DPP4 P27487 6/20 0.39
NOTUM Q6P988 1/20 0.37
SLC2A1 P11166 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
BDKRB2 P30411 1/20 0.34
ABL1 P00519 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
RIN1 Q13671 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FBP1 P09467 1/20 0.34
EGLN2 Q96KS0 1/20 0.34

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
SCHEMBL7148319 0.82 GSK3B (0.50) CDK1GSK3AGSK3BIDO1CNR1
SCHEMBL27253612 0.81 CDK1 (0.49) CDK1GSK3AGSK3BIDO1CNR1
SCHEMBL5089674 0.79 CDK1 (0.48) CDK1GSK3AGSK3BIDO1CNR1
SCHEMBL27538053 0.78 GSK3B (0.56) CDK1GSK3AGSK3BIDO1CNR1
SCHEMBL5089661 0.78 GSK3B (0.60) CDK1GSK3AGSK3BIDO1CNR1
SCHEMBL27559817 0.77 IDO1 (0.55) CDK1GSK3AGSK3BIDO1CNR1
SCHEMBL29367195 0.77 IDO1 (0.50) CDK1GSK3AGSK3BIDO1CNR1
SCHEMBL5099510 0.77 CNR1 (0.51) CDK1GSK3AGSK3BIDO1CNR1
SCHEMBL7148313 0.73 CDK1 (0.46) CDK1GSK3AGSK3BIDO1CNR1
SCHEMBL7020037 0.72 IDO1 (0.48) CDK1GSK3AGSK3BIDO1CNR1

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 CDK1 7/4885GSK3A 2/4885GSK3B 1/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CDK1 7/4885GSK3A 2/4885GSK3B 1/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CDK1 7/4885GSK3A 2/4885GSK3B 1/4885

“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.