SCHEMBL3382636

SCHEMBL3382636

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 13/20 1.00
GSK3B P49841 13/20 1.00
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MC4R P32245 1/20 0.42
OPRK1 P41145 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR35 Q9HC97 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41

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) GSK3AGSK3BMAPTRAB9ASMN1; SMN2
SCHEMBL3384854 0.81 GSK3A (1.00) GSK3AGSK3BPOLBMEN1KMT2A
SCHEMBL3383077 0.81 GSK3A (1.00) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL3384007 0.81 GSK3B (1.00) GSK3AGSK3BGAACCNB2CDK1
SCHEMBL6428260 0.79 GSK3B (0.80) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL3384147 0.79 GSK3A (1.00) GSK3AGSK3BPOLBMAPTRGS4
SCHEMBL6427365 0.75 GSK3A (0.73) GSK3AGSK3BMEN1KMT2ACCNB2
SCHEMBL9623389 0.73 POLB (0.56) GSK3AGSK3BPOLBMEN1MAPT
SCHEMBL5023665 0.71 GSK3B (0.73) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL23642987 0.71 GSK3A (0.60) GSK3AGSK3BPOLBMEN1MAPT

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 1/4885POLB 196/4885
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 1/4885POLB 813/4885
US-20050014803-A1 Enzyme inhibitors GSK3B, GSK3A, IDE GSK3A 2/4885GSK3B 1/4885POLB 196/4885

“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.