SCHEMBL5683235

SCHEMBL5683235

CNC1=C(c2c[nH]c3ccccc23)C(=O)N(C)C1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.76
SIRT1 Q96EB6 1/20 0.76
RPS6KB1 P23443 1/20 0.52
PRKCB P05771 7/20 0.51
PIM1 P11309 3/20 0.51
CDK4 P11802 3/20 0.51
PRKACA P17612 3/20 0.51
PRKACG P22612 3/20 0.51
PRKACB P22694 3/20 0.51
CCND1 P24385 3/20 0.51
CCNE2 O96020 2/20 0.51
CCNE1 P24864 2/20 0.51
CDK2 P24941 2/20 0.51
PRKCA P17252 2/20 0.51
PRKD3 O94806 1/20 0.51
CCNB2 O95067 1/20 0.51
ABL1 P00519 1/20 0.51
PRKCG P05129 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51

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
SCHEMBL30958473 0.87 SIRT2 (1.00) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL3945882 0.87 SIRT2 (1.00) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL5686062 0.86 SIRT2 (0.72) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL5682704 0.82 SIRT2 (0.65) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL5343477 0.80 SIRT2 (0.80) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL5682604 0.80 SIRT2 (0.80) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL7504252 0.80 SIRT2 (0.80) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL5682562 0.80 SIRT2 (0.61) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL5682637 0.78 SIRT2 (0.76) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL7195523 0.76 CCNT1 (0.81) SIRT2SIRT1RPS6KB1PRKCBPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252045-A1 Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby WYETH 2006-11-09 US disclosed
WO-2005028678-A9 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY WYETH CORP (US) 2006-08-31 WO disclosed
EP-1636388-A2 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY Wyeth (US) 2006-03-22 EP disclosed
WO-2005028678-A2 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY WYETH (US) 2005-03-31 WO disclosed
US-6719520-B2 FOR INHIBITION OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3); TREATMENT AND PROPHYLAXIS FOR DIABETES, CHRONIC NEURODEGENERATIVE CONDITIONS, MOOD DISORDERS SUCH AS SCHIZOPHRENIA AND MANIC DEPRESSION AND HAIR LOSS AND CANCER SMITHKLINE BEECHAM CORPORATION 2004-04-13 US disclosed
US-20040010031-A1 Novel method and compounds SMITHKLINE BEECHAM P.L.C. 2004-01-15 US disclosed
EP-1119548-A1 PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2001-08-01 EP disclosed
WO-2000021927-A2 PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 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-20040010031-A1 Novel method and compounds GSK3A, GSK3B, GSKIP SIRT2 468/4885SIRT1 258/4885RPS6KB1 75/4885
US-20060252045-A1 Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby BMP4, BMP2, BMP6 SIRT2 2773/4885SIRT1 2484/4885RPS6KB1 602/4885

“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.