SCHEMBL1250465

SCHEMBL1250465

Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 0.74
CDK5R1 Q15078 8/20 0.74
CCNA2 P20248 10/20 0.66
CDK2 P24941 10/20 0.66
ZAP70 P43403 1/20 0.62
MAPT P10636 3/20 0.61
NPC1 O15118 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
RAB9A P51151 1/20 0.57
MAPK14 Q16539 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL7758141 0.93 CCNA2 (0.76) CDK5CDK5R1CCNA2CDK2ZAP70
SCHEMBL1251123 0.91 MAPT (0.64) CDK5CDK5R1CCNA2CDK2ZAP70
SCHEMBL20141868 0.90 CDK5 (0.64) CDK5CDK5R1CCNA2CDK2ZAP70
SCHEMBL25609823 0.86 CCNA2 (0.70) CDK5CDK5R1CCNA2CDK2ZAP70
SCHEMBL7757586 0.83 CCNA2 (0.82) CDK5CDK5R1CCNA2CDK2MAPT
SCHEMBL4465180 0.82 CCNA2 (0.82) CDK5CDK5R1CCNA2CDK2ZAP70
SCHEMBL6605794 0.80 CDK5 (0.58) CDK5CDK5R1CCNA2CDK2ZAP70
SCHEMBL20142857 0.80 GSK3A (0.67) CDK5CDK5R1CCNA2CDK2ZAP70
SCHEMBL25609676 0.80 CCNA2 (0.73) CDK5CDK5R1CCNA2CDK2ZAP70
SCHEMBL1250778 0.80 CCNA2 (1.00) CDK5CDK5R1CCNA2CDK2ZAP70

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
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
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
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 778/4885CCNA2 4260/4885
US-20090312390-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA GSK3B, GSK3A, GSKIP CDK5 367/4885CDK5R1 778/4885CCNA2 4260/4885
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives GSK3A, GSK3B, GSKIP CDK5 923/4885CDK5R1 1286/4885CCNA2 3738/4885

“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.