SCHEMBL1250329

SCHEMBL1250329

NC1=NC(=O)C(=C2CCNC(=O)c3[nH]cc(Br)c32)N1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.73
CDK5R1 Q15078 9/20 0.73
CCNB2 O95067 7/20 0.73
CDK1 P06493 7/20 0.73
CCNB1 P14635 7/20 0.73
CCNB3 Q8WWL7 7/20 0.73
CDK4 P11802 3/20 0.73
ERBB2 P04626 2/20 0.73
CHEK1 O14757 9/20 0.48
CHEK2 O96017 5/20 0.48
RAF1 P04049 4/20 0.48
MAPK1 P28482 4/20 0.48
MAP2K1 Q02750 4/20 0.48
PRKD3 O94806 3/20 0.46
PRKCG P05129 3/20 0.46
PRKCB P05771 3/20 0.46
PRKCA P17252 3/20 0.46
PRKCH P24723 3/20 0.46
PRKCI P41743 3/20 0.46
PRKCE Q02156 3/20 0.46

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
SCHEMBL1250325 1.00 CDK5 (0.73) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL17166885 0.81 CDK5 (0.57) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL15426067 0.80 CDK5 (0.73) CDK5CDK5R1CCNB2CDK1CCNB1
Debromohymenialdisine SCHEMBL4303192 0.77 CDK5 (0.70) CDK5CDK5R1CCNB2CDK1CCNB1
Debromohymenialdisine SCHEMBL3578000 0.77 CDK5 (0.70) CDK5CDK5R1CCNB2CDK1CCNB1
Debromohymenialdisine SCHEMBL3577997 0.77 CDK5 (0.70) CDK5CDK5R1CCNB2CDK1CCNB1
Hymenialdisine SCHEMBL155899 0.77 CHEK2 (0.74) CDK5CDK5R1CCNB2CDK1CCNB1
Hymenialdisine SCHEMBL1249686 0.77 CHEK2 (0.74) CDK5CDK5R1CCNB2CDK1CCNB1
Hymenialdisine SCHEMBL1249687 0.77 CHEK2 (0.74) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL3426076 0.75 CDK5 (0.46) CDK5CDK5R1CCNB2CDK1CCNB1

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 6 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
US-20040186159-A1 Inhibitors of glycogen synthase kinase-3 (gsk-3) for treating glaucoma NOVARTIS AG (CH) 2004-09-23 US 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 CDK5 367/4885CDK5R1 778/4885CCNB2 3391/4885
US-20090312390-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA GSK3B, GSK3A, GSKIP CDK5 367/4885CDK5R1 778/4885CCNB2 3391/4885

“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.