SCHEMBL1248065

SCHEMBL1248065

Nc1nc(Nc2ccccc2)nn1C(=O)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.64
TYK2 P29597 5/20 0.64
JAK3 P52333 3/20 0.64
CCNB2 O95067 1/20 0.64
CDK1 P06493 1/20 0.64
CCNB1 P14635 1/20 0.64
CCNB3 Q8WWL7 1/20 0.64
F2 P00734 3/20 0.61
F12 P00748 2/20 0.61
HSD17B10 Q99714 2/20 0.57
MAPT P10636 1/20 0.56
JAK2 O60674 4/20 0.55
GAA P10253 1/20 0.55
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
PDGFRB P09619 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 0.90 CCNB2 (0.77) JAK1TYK2JAK3CCNB2CDK1
SCHEMBL5727014 0.86 CCNB2 (0.80) JAK1TYK2JAK3CCNB2CDK1
SCHEMBL1250806 0.82 CCNB2 (0.67) JAK1TYK2JAK3CCNB2CDK1
SCHEMBL1167578 0.82 TYK2 (0.66) JAK1TYK2JAK3CCNB2CDK1
SCHEMBL1249622 0.81 TYK2 (0.65) JAK1TYK2JAK3CCNB2CDK1
SCHEMBL1167929 0.81 CCNB2 (0.65) JAK1TYK2JAK3CCNB2CDK1
SCHEMBL1249224 0.81 CCNB2 (0.65) JAK1TYK2JAK3CCNB2CDK1
SCHEMBL1248356 0.81 CCNB2 (0.65) JAK1TYK2JAK3CCNB2CDK1
SCHEMBL1248456 0.81 TYK2 (0.63) JAK1TYK2JAK3CCNB2CDK1
SCHEMBL2086859 0.80 JAK2 (0.71) JAK1TYK2JAK3CCNB2CDK1

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 11 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
US-20040186159-A1 Inhibitors of glycogen synthase kinase-3 (gsk-3) for treating glaucoma NOVARTIS AG (CH) 2004-09-23 US 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.