SCHEMBL4459015

SCHEMBL4459015

COc1ccc(Nc2nc(N)n(C(=O)O)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.52
TYK2 P29597 4/20 0.52
JAK2 O60674 8/20 0.50
JAK3 P52333 3/20 0.50
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL1167967 0.84 MAPT (0.50) JAK1TYK2JAK2JAK3CCNB2
SCHEMBL1167868 0.83 KMT2A (0.67) JAK1TYK2JAK2JAK3CCNB2
SCHEMBL4457899 0.83 JAK1 (0.68) JAK1TYK2JAK2JAK3CCNB2
SCHEMBL1168505 0.82 JAK2 (0.59) JAK2CCNB2CDK1CCNB1CCNB3
SCHEMBL1167669 0.80 KMT2A (0.56) JAK1TYK2JAK2JAK3CCNB2
SCHEMBL6102097 0.79 CCNB2 (0.74) JAK1TYK2JAK2JAK3CCNB2
SCHEMBL4047489 0.78 FLT3 (0.74) JAK1TYK2JAK2JAK3
SCHEMBL1249352 0.76 JAK2 (0.63) JAK1TYK2JAK2JAK3CCNB2
SCHEMBL6102797 0.76 ADORA2A (0.61) JAK1TYK2JAK2JAK3CCNB2
SCHEMBL7484727 0.74 JAK1 (0.65) JAK1TYK2JAK2JAK3CCNB2

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 17 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
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
US-20090312390-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON, INC. (CH) 2009-12-17 US disclosed
EP-2096918-A2 PESTICIDAL COMPOSITION COMPRISING FENAMIDONE AND AN INSECTICIDE COMPOUND Bayer CropScience AG (DE) 2009-09-09 EP disclosed
CN-101380319-A Inhibitors of glycogen synthase kinase-3 (gsk-3) for treating glaucoma ALCON INC (CH) 2009-03-11 CN disclosed
WO-2008077922-A2 PESTICIDAL COMPOSITION COMPRISING FENAMIDONE AND AN INSECTICIDE COMPOUND BAYER CROPSCIENCE AG (DE) 2008-07-03 WO disclosed
EP-1904443-A1 NEW BENZOHETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-04-02 EP disclosed
EP-1904473-A1 BENZOHETEROCYCLYLETHYLCARBOXAMIDE DERIVATIVES Bayer CropScience S.A. (FR) 2008-04-02 EP disclosed
WO-2007006739-A1 BENZOHETEROCYCLYLETHYLCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-01-18 WO disclosed
WO-2007006734-A1 NEW BENZOHETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-01-18 WO 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
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 (1 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-20090312390-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA GSK3B, GSK3A, GSKIP JAK1 3044/4885TYK2 2654/4885JAK2 2797/4885

“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.