SCHEMBL3384007

SCHEMBL3384007

Cn1sc(=O)n(-c2ccccc2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 1.00
GSK3A P49840 15/20 1.00
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
PGR P06401 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL6428260 0.89 GSK3B (0.80) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL6427365 0.85 GSK3A (0.73) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL3382637 0.82 GSK3A (1.00) GSK3BGSK3AGAA
SCHEMBL6427982 0.82 GSK3A (0.69) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL3383077 0.81 GSK3A (1.00) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL3384854 0.81 GSK3A (1.00) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL3382636 0.81 GSK3A (1.00) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL3384147 0.78 GSK3A (1.00) GSK3BGSK3A
SCHEMBL6015126 0.76 GSK3B (1.00) GSK3BGSK3APGR
SCHEMBL15354264 0.72 GSK3B (1.00) GSK3BGSK3APGRGAA

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-8569346-B1 Thiazoline ring compounds as botulinum antagonists BIOMADISON, INC. (US) 2013-10-29 US disclosed
WO-2012065065-A9 METHODS AND COMPOSITIONS FOR MODULATING HAIR GROWTH, WOUND HEALING AND SCAR REVISION FOLLICA, INC. (US) 2012-10-11 WO disclosed
WO-2012065065-A1 METHODS AND COMPOSITIONS FOR MODULATING HAIR GROWTH, WOUND HEALING AND SCAR REVISION FOLLICA, INC. (US) 2012-05-18 WO disclosed
US-7781463-B2 Enzyme inhibitors CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-08-24 US disclosed
US-7666885-B2 Neurodegenerative disease; anticancer agents; hyperplasia; arterosclerosis; restenosis; non-insulin dependent diabetis; Alzheimer's disease CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-02-23 US disclosed
US-20080033012-A1 Enzyme inhibitors COSENJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS, A SPAIN CORPORATION 2008-02-07 US disclosed
US-6872737-B2 Heterocyclic inhibitors of glycogen synthase kinase GSK-3 CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2005-03-29 US disclosed
US-20050014803-A1 Enzyme inhibitors CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS, A SPAIN CORPORATION 2005-01-20 US disclosed
US-20030195238-A1 Drugs such as 4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5 -dione inhibitors of glycogen synthase kinase-3 (GSK-3), for prophylaxis of neurodegenerative disorders, cancer, hyperplasia, psoriasis, arteriosclerosis or restinosis UNIVERSIDAD AUTONOMA DE MADRID (UAM) (ES) 2003-10-16 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 (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-20080033012-A1 Enzyme inhibitors GSK3B, GSK3A, IDE GSK3B 1/4885GSK3A 2/4885CCNB2 397/4885
US-20030195238-A1 Drugs such as 4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5 -dione inhibitors of glycogen synthase kinase-3 (GSK-3), for prophylaxis of neurodegenerative disorders, cancer, hyperplasia, psoriasis, arteriosclerosis or restinosis GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885CCNB2 516/4885
US-20050014803-A1 Enzyme inhibitors GSK3B, GSK3A, IDE GSK3B 1/4885GSK3A 2/4885CCNB2 397/4885

“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.