SCHEMBL1250879

SCHEMBL1250879

Nc1nc(Nc2cccnc2)sc1-c1ccccc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 11/20 0.54
CDK5R1 Q15078 11/20 0.54
CDK2 P24941 4/20 0.50
GSK3B P49841 1/20 0.50
CCNA2 P20248 3/20 0.48
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
MAPK1 P28482 1/20 0.41
KDR P35968 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40

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
SCHEMBL1248421 0.87 CCNA2 (0.49) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL7757594 0.81 MAPT (0.45) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL1248205 0.80 CDK5 (0.58) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL5725669 0.78 CDK5 (0.49) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL1248186 0.77 MAPT (0.45) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL1248135 0.76 MAPT (0.45) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL1250354 0.74 CCNA2 (0.49) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL27591327 0.72 CDK5 (0.85) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL1249747 0.72 MAPT (0.46) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL7758207 0.71 MEN1 (0.57) CDK5CDK5R1CDK2GSK3BCCNA2

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-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
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives NOVO NORDISK A/S (DK) 2001-11-08 US disclosed
WO-2001056567-A1 2,4-DIAMINOTHIAZOLE DERIVATIVES AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 (GSK-3) INHIBITORS NOVO NORDISK A/S (DK) 2001-08-09 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 (3 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 CDK5 367/4885CDK5R1 778/4885CDK2 1208/4885
US-20090312390-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA GSK3B, GSK3A, GSKIP CDK5 367/4885CDK5R1 778/4885CDK2 1208/4885
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives GSK3A, GSK3B, GSKIP CDK5 923/4885CDK5R1 1286/4885CDK2 566/4885

“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.