SCHEMBL1250671

SCHEMBL1250671

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.55
TYK2 P29597 5/20 0.55
JAK3 P52333 3/20 0.55
JAK2 O60674 10/20 0.51
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
MAPK8 P45983 2/20 0.50
CAMKK2 Q96RR4 2/20 0.50
MAPK10 P53779 1/20 0.50
PIK3CG P48736 1/20 0.50
GSK3B P49841 1/20 0.50
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
SYK P43405 1/20 0.43

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
SCHEMBL4457899 0.87 JAK1 (0.68) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL1250806 0.86 CCNB2 (0.67) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL1251181 0.78 F2 (0.60) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL1248143 0.78 CCNB2 (0.77) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL7484727 0.76 JAK1 (0.65) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL6102916 0.76 CCNB2 (0.87) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL1167929 0.75 CCNB2 (0.65) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL1248356 0.75 CCNB2 (0.65) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL1249224 0.75 CCNB2 (0.65) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL1250439 0.75 JAK2 (0.79) JAK1TYK2JAK3JAK2CCNB2

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 20 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
CN-101380319-A Inhibitors of glycogen synthase kinase-3 (gsk-3) for treating glaucoma ALCON INC (CH) 2009-03-11 CN claimed
EP-1430120-A4 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON INC (CH) 2007-06-20 EP claimed
CN-1561393-A Inhibitors of glycogen synthase kinase-3 (GSK-3) for the treatment of glaucoma ALCON INC (CH) 2005-01-05 CN 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
CN-101380319-A Inhibitors of glycogen synthase kinase-3 (gsk-3) for treating glaucoma ALCON INC (CH) 2009-03-11 CN disclosed
EP-1430120-A4 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON INC (CH) 2007-06-20 EP disclosed
CN-1561393-A Inhibitors of glycogen synthase kinase-3 (GSK-3) for the treatment of glaucoma ALCON INC (CH) 2005-01-05 CN 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
EP-1200415-A1 DIAMINO-1,2,4-TRIAZOLE-CARBOXYLIC ACID DERIVATIVES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-05-02 EP disclosed
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 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 JAK1 3044/4885TYK2 2654/4885JAK3 662/4885
US-20090312390-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA GSK3B, GSK3A, GSKIP JAK1 3044/4885TYK2 2654/4885JAK3 662/4885

“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.