SCHEMBL3329346

SCHEMBL3329346

Cc1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1-c1cnc(N)c(C(=O)Nc2cccnc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 1.00
CCNE2 O96020 15/20 0.80
CCNE1 P24864 15/20 0.80
CDK2 P24941 15/20 0.80
GSK3A P49840 1/20 0.70

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
Hydrochloric Acid SCHEMBL6034625 0.99 GSK3B (0.98) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3331705 0.93 GSK3B (0.87) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL6035365 0.92 GSK3B (0.85) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3330588 0.89 GSK3B (1.00) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3336209 0.89 GSK3B (1.00) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL6034863 0.88 GSK3B (0.98) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL6035362 0.88 GSK3B (0.98) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL6034066 0.88 GSK3B (0.98) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL6035138 0.88 GSK3B (0.98) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3330330 0.86 GSK3B (0.80) GSK3BCCNE2CCNE1CDK2GSK3A

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
EP-1993550-A1 GSK-3 INHIBITORS FOR THE TREATMENT OF OSTEOPOROSIS AstraZeneca AB (SE) 2008-11-26 EP claimed
US-20070213322-A1 Administering 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide; glycogen synthase kinase-3-beta inhibitor; osteoporosis; osteogenesis; increased cancellous bone; increased bone mineral density; strenthening to reduce breakage;enhanced fracture healing ASTRAZENECA AB (SE) 2007-09-13 US claimed
WO-2007102770-A1 GSK-3 INHIBITORS FOR THE TREATMENT OF OSTEOPOROSIS ASTRAZENECA AB (SE) 2007-09-13 WO claimed
US-20100137330-A1 Use BHAT RATAN 2010-06-03 US disclosed
US-7576093-B2 Method of treatment of bone-related disorders or conditions ASTRAZENECA AB (SE) 2009-08-18 US disclosed
EP-1993550-A1 GSK-3 INHIBITORS FOR THE TREATMENT OF OSTEOPOROSIS AstraZeneca AB (SE) 2008-11-26 EP disclosed
US-20070213322-A1 Administering 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide; glycogen synthase kinase-3-beta inhibitor; osteoporosis; osteogenesis; increased cancellous bone; increased bone mineral density; strenthening to reduce breakage;enhanced fracture healing ASTRAZENECA AB (SE) 2007-09-13 US disclosed
WO-2007102770-A1 GSK-3 INHIBITORS FOR THE TREATMENT OF OSTEOPOROSIS ASTRAZENECA AB (SE) 2007-09-13 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-20100137330-A1 Use SLC9A3, SOST, PHF13 GSK3B 1106/4885CCNE2 2890/4885CCNE1 3246/4885
US-20070213322-A1 Administering 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide; glycogen synthase kinase-3-beta inhibitor; osteoporosis; osteogenesis; increased cancellous bone; increased bone mineral density; strenthening to reduce breakage;enhanced fracture healing GSK3B, GSK3A, STK3 GSK3B 1/4885CCNE2 3350/4885CCNE1 2693/4885

“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.