SCHEMBL10059337

SCHEMBL10059337

OCCCNc1cccc(-c2ccnc(Nc3cccc(Cl)c3)n2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.81
CDK5 Q00535 3/20 0.81
CDK5R1 Q15078 3/20 0.81
CDK2 P24941 3/20 0.81
NPC1 O15118 2/20 0.81
MAPT P10636 2/20 0.81
XBP1 P17861 2/20 0.81
MAPK1 P28482 2/20 0.81
HTT P42858 2/20 0.81
RAB9A P51151 2/20 0.81
CDK4 P11802 2/20 0.81
CCNB1 P14635 2/20 0.81
CCNA2 P20248 2/20 0.81
CCND1 P24385 2/20 0.81
CDK7 P50613 2/20 0.81
CCNH P51946 2/20 0.81
MTOR P42345 2/20 0.81
SMG1 Q96Q15 2/20 0.81
CCNT1 O60563 1/20 0.81
CCNE1 P24864 1/20 0.81

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
SCHEMBL30782585 0.89 CDK1 (1.00) CDK1CDK5CDK5R1CDK2NPC1
SCHEMBL29397852 0.89 CDK1 (1.00) CDK1CDK5CDK5R1CDK2NPC1
SCHEMBL1574530 0.89 CDK1 (1.00) CDK1CDK5CDK5R1CDK2NPC1
SCHEMBL29385808 0.89 CDK1 (1.00) CDK1CDK5CDK5R1CDK2NPC1
SCHEMBL7813303 0.87 CDK1 (0.96) CDK1CDK5CDK5R1CDK2NPC1
SCHEMBL7804352 0.86 CDK1 (0.94) CDK1CDK5CDK5R1CDK2NPC1
SCHEMBL4897568 0.85 CDK1 (0.78) CDK1CDK5CDK5R1CDK2NPC1
SCHEMBL14040966 0.85 CDK1 (0.85) CDK1CDK5CDK5R1CDK2NPC1
SCHEMBL7817083 0.85 CDK1 (0.91) CDK1CDK5CDK5R1CDK2NPC1
SCHEMBL3511867 0.83 CDK1 (0.72) CDK1CDK5CDK5R1CDK2NPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024497-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes ALNYLAM PHARMACEUTICALS, INC. 2016-01-28 US disclosed
US-20160024497-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes ALNYLAM PHARMACEUTICALS, INC. 2016-01-28 US disclosed
US-9029525-B2 Compositions and methods for inhibiting expression of GSK-3 genes ALNYLAM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-9029525-B2 Compositions and methods for inhibiting expression of GSK-3 genes ALNYLAM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-20130012572-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes BANK OF AMERICA, N.A. 2013-01-10 US disclosed
US-20130012572-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes BANK OF AMERICA, N.A. 2013-01-10 US disclosed
US-20120009674-A1 Use of a GSK-3 Inhibitor to Maintain Potency of Cultured Cells ABT HOLDING COMPANY (US) 2012-01-12 US disclosed
US-20110184046-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes ALNYLAM PHARMACEUTICALS, INC. 2011-07-28 US disclosed
US-20110184046-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes ALNYLAM PHARMACEUTICALS, INC. 2011-07-28 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-20130012572-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes GSK3A, GSK3B, GSKIP CDK1 1035/4885CDK5 782/4885CDK5R1 1119/4885
US-20110184046-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes GSK3A, GSK3B, GSKIP CDK1 1035/4885CDK5 782/4885CDK5R1 1119/4885

“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.