SCHEMBL1250806

SCHEMBL1250806

Nc1nc(Nc2ccccc2)nn1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.67
CDK1 P06493 2/20 0.67
CCNB1 P14635 2/20 0.67
CCNB3 Q8WWL7 2/20 0.67
JAK1 P23458 7/20 0.65
TYK2 P29597 7/20 0.65
JAK3 P52333 5/20 0.65
JAK2 O60674 7/20 0.60
F12 P00748 1/20 0.53
PLK4 O00444 1/20 0.49
STK25 O00506 1/20 0.49
RIOK3 O14730 1/20 0.49
AURKA O14965 1/20 0.49
GAK O14976 1/20 0.49
DCLK1 O15075 1/20 0.49
PDPK1 O15530 1/20 0.49
DAPK3 O43293 1/20 0.49
NUAK1 O60285 1/20 0.49
ROCK2 O75116 1/20 0.49
RPS6KA4 O75676 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
SCHEMBL1248143 0.92 CCNB2 (0.77) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL6102916 0.89 CCNB2 (0.87) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1248356 0.88 CCNB2 (0.65) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1167929 0.88 CCNB2 (0.65) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1249224 0.88 CCNB2 (0.65) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1250671 0.86 JAK1 (0.55) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1248362 0.85 TYK2 (0.63) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL7092945 0.85 CCNB2 (0.71) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1249646 0.85 TYK2 (0.62) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1168003 0.84 CCNB2 (0.55) CCNB2CDK1CCNB1CCNB3JAK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312390-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON, INC. (CH) 2009-12-17 US claimed
EP-1430120-A4 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON INC (CH) 2007-06-20 EP claimed
US-20040186159-A1 Inhibitors of glycogen synthase kinase-3 (gsk-3) for treating glaucoma NOVARTIS AG (CH) 2004-09-23 US claimed
EP-1430120-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA Alcon, Inc. (CH) 2004-06-23 EP claimed
WO-2003027275-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON, INC. (CH) 2003-04-03 WO claimed
EP-1200415-A1 DIAMINO-1,2,4-TRIAZOLE-CARBOXYLIC ACID DERIVATIVES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-05-02 EP claimed
WO-2001009106-A1 DIAMINO-1,2,4-TRIAZOLE-CARBOXYLIC AND DERIVATIVES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-02-08 WO claimed
EP-2281560-A1 Inhibitors of glycogen synthase kinase-3 (GSK-3) for treating glaucomatous optic neuropathy Alcon, Inc. (CH) 2011-02-09 EP disclosed
US-20090312390-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON, INC. (CH) 2009-12-17 US disclosed
US-7598288-B2 Inhibitors of glycogen synthase kinase-3 (GSK-3) for treating glaucoma ALCON, INC. (CH) 2009-10-06 US disclosed
EP-1430120-A4 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON INC (CH) 2007-06-20 EP disclosed
US-20040186159-A1 Inhibitors of glycogen synthase kinase-3 (gsk-3) for treating glaucoma NOVARTIS AG (CH) 2004-09-23 US disclosed
EP-1430120-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA Alcon, Inc. (CH) 2004-06-23 EP disclosed
WO-2003027275-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON, INC. (CH) 2003-04-03 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 (2 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-20040186159-A1 Inhibitors of glycogen synthase kinase-3 (gsk-3) for treating glaucoma GSK3B, GSK3A, GSKIP CCNB2 3391/4885CDK1 611/4885CCNB1 3523/4885
US-20090312390-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA GSK3B, GSK3A, GSKIP CCNB2 3391/4885CDK1 611/4885CCNB1 3523/4885

“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.