SCHEMBL1248205

SCHEMBL1248205

Nc1nc(Nc2cccnc2)sc1C=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 11/20 0.58
CDK5R1 Q15078 11/20 0.58
CDK2 P24941 6/20 0.53
GSK3B P49841 1/20 0.53
CCNA2 P20248 5/20 0.51
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
PSMD14 O00487 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 1/20 0.44
CLK1 P49759 1/20 0.44
KDR P35968 1/20 0.44
CCNE1 P24864 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
SCHEMBL7756995 0.84 MAPT (0.68) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL1250879 0.80 CDK5 (0.54) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL27591327 0.78 CDK5 (0.85) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL5725669 0.77 CDK5 (0.49) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL1250875 0.73 CDK5 (1.00) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL13675041 0.72 GSK3A (0.54) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL13534527 0.70 ALDH1A1 (0.73) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL4483238 0.69 CDK5 (1.00) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL1248181 0.68 CDK2 (1.00) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL29793056 0.67 KIF11 (0.60) MAPTLMNAKMT2AMAPK1ALDH1A1

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 16 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-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

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 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

“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.