SCHEMBL3383077

SCHEMBL3383077

Cn1sc(=O)n(-c2ccc(Br)cc2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 15/20 1.00
GSK3B P49841 15/20 1.00
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
TSHR P16473 1/20 0.37
RGS4 P49798 1/20 0.36
RGS8 P57771 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36

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
SCHEMBL3382637 0.83 GSK3A (1.00) GSK3AGSK3BMGLLRGS4RGS8
SCHEMBL3382636 0.81 GSK3A (1.00) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL3384854 0.81 GSK3A (1.00) GSK3AGSK3BMGLLCCNB2CDK1
SCHEMBL3384007 0.81 GSK3B (1.00) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL6428260 0.79 GSK3B (0.80) GSK3AGSK3BFAAHMGLLCCNB2
SCHEMBL3384147 0.79 GSK3A (1.00) GSK3AGSK3BMGLLRGS4RGS8
SCHEMBL3384015 0.77 GSK3B (0.71) GSK3AGSK3BRGS4RGS8
SCHEMBL6428650 0.70 RGS4 (0.71) GSK3AGSK3BFAAHMGLLRGS4
SCHEMBL6429448 0.70 GSK3B (0.71) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL6427982 0.66 GSK3A (0.69) GSK3AGSK3BMGLLCCNB2CDK1

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-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 GSK3A 2/4885GSK3B 1/4885FAAH 2482/4885
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 GSK3A 2/4885GSK3B 1/4885FAAH 3924/4885
US-20050014803-A1 Enzyme inhibitors GSK3B, GSK3A, IDE GSK3A 2/4885GSK3B 1/4885FAAH 2482/4885

“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.