SCHEMBL4457899

SCHEMBL4457899

Nc1nc(Nc2ccccc2)nn1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 9/20 0.68
TYK2 P29597 9/20 0.68
JAK3 P52333 7/20 0.68
JAK2 O60674 11/20 0.61
CCNB2 O95067 4/20 0.59
CDK1 P06493 4/20 0.59
CCNB1 P14635 4/20 0.59
CCNB3 Q8WWL7 4/20 0.59
EIF2AK2 P19525 2/20 0.50
KIT P10721 2/20 0.50
FLT3 P36888 2/20 0.50
PLK4 O00444 1/20 0.50
STK25 O00506 1/20 0.50
RIOK3 O14730 1/20 0.50
AURKA O14965 1/20 0.50
GAK O14976 1/20 0.50
DCLK1 O15075 1/20 0.50
PDPK1 O15530 1/20 0.50
DAPK3 O43293 1/20 0.50
NUAK1 O60285 1/20 0.50

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
SCHEMBL7484727 0.88 JAK1 (0.65) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL1250671 0.87 JAK1 (0.55) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL1248143 0.86 CCNB2 (0.77) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL1250439 0.86 JAK2 (0.79) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL4459015 0.83 JAK1 (0.52) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL1249504 0.83 F2 (0.61) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL1250806 0.82 CCNB2 (0.67) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL14288380 0.82 JAK1 (1.00) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL1248356 0.81 CCNB2 (0.65) JAK1TYK2JAK3JAK2CCNB2
SCHEMBL1249224 0.81 CCNB2 (0.65) 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
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
US-20090312390-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON, INC. (CH) 2009-12-17 US disclosed
US-20090291106-A1 BIODEGRADABLE BLOCK COPOLYMERS WITH MODIFIABLE SURFACE MAST BIOSURGERY AG (CH) 2009-11-26 US disclosed
CN-101380319-A Inhibitors of glycogen synthase kinase-3 (gsk-3) for treating glaucoma ALCON INC (CH) 2009-03-11 CN disclosed
US-20070299240-A1 Biodegradable block copolymers with modifiable surface MAST BIOSURGERY AG (CH) 2007-12-27 US disclosed
US-20070299238-A1 Biodegradable block copolymers with modifiable surface MAST BIOSURGERY AG (CH) 2007-12-27 US disclosed
US-20070299227-A1 Biodegradable block copolymers with modifiable surface MAST BIOSURGERY AG (CH) 2007-12-27 US 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
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 (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 2654/4885JAK3 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.