SCHEMBL3384854

SCHEMBL3384854

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 13/20 1.00
GSK3B P49841 13/20 1.00
RGS4 P49798 4/20 0.40
RGS8 P57771 4/20 0.40
RGS16 O15492 1/20 0.40
RGS19 P49795 1/20 0.40
MGLL Q99685 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 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

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) GSK3AGSK3BRGS4RGS8MGLL
SCHEMBL3382636 0.81 GSK3A (1.00) GSK3AGSK3BRGS4RGS8MEN1
SCHEMBL3384007 0.81 GSK3B (1.00) GSK3AGSK3BGAACCNB2CDK1
SCHEMBL3384147 0.79 GSK3A (1.00) GSK3AGSK3BRGS4RGS8MGLL
SCHEMBL17537368 0.73 GSK3A (0.55) GSK3AGSK3BMGLLMEN1POLB
SCHEMBL23643021 0.71 GSK3A (0.60) GSK3AGSK3BRGS4RGS8RGS16
SCHEMBL6427982 0.66 GSK3A (0.69) GSK3AGSK3BMGLLCCNB2CDK1
SCHEMBL12660985 0.65 MGLL (0.48) GSK3AGSK3BMGLLPOLB
SCHEMBL23643016 0.64 GSK3A (0.47) GSK3AGSK3BMGLLMEN1POLB
SCHEMBL9710845 0.64 GSK3A (0.46) GSK3AGSK3BMGLLMEN1GAA

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 1/4885RGS4 4674/4885
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 1/4885RGS4 3476/4885
US-20050014803-A1 Enzyme inhibitors GSK3B, GSK3A, IDE GSK3A 2/4885GSK3B 1/4885RGS4 4674/4885

“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.