SCHEMBL3274403

SCHEMBL3274403

N#CCCNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cnc1N

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.65
CCNE2 O96020 10/20 0.65
CCNE1 P24864 10/20 0.65
CDK2 P24941 10/20 0.65
GSK3A P49840 1/20 0.52
ATR Q13535 4/20 0.48
ACVR1 Q04771 1/20 0.46
PRKDC P78527 1/20 0.45

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
SCHEMBL3273882 0.87 GSK3B (0.67) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5226361 0.85 GSK3B (0.49) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5220911 0.83 GSK3B (0.76) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5221843 0.83 GSK3B (0.65) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL3277605 0.83 GSK3B (0.75) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL3279262 0.82 GSK3B (0.64) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3274547 0.82 GSK3B (0.78) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5218515 0.81 GSK3B (0.63) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3279536 0.81 GSK3B (0.67) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL3273532 0.81 GSK3B (0.62) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595321-B2 Compounds having selective inhibiting effect at GSK3 ASTRAZENECA AB (SE) 2009-09-29 US claimed
EP-1575942-B1 COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3 ASTRAZENECA AB (SE) 2007-05-02 EP claimed
US-20060116385-A1 Novel compounds having selective inhibiting effect at gsk3 ASTRAZENECA AB (SE) 2006-06-01 US claimed
JP-2006512337-A 2006-04-13 JP claimed
EP-1575942-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3 AstraZeneca AB (SE) 2005-09-21 EP claimed
WO-2004055009-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3 ASTRAZENECA AB (SE) 2004-07-01 WO claimed
US-20100087396-A1 Novel Compounds Having Selective Inhibiting Effect at GSK3 BERG STEFAN 2010-04-08 US disclosed
US-7595321-B2 Compounds having selective inhibiting effect at GSK3 ASTRAZENECA AB (SE) 2009-09-29 US disclosed
EP-1575942-B1 COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3 ASTRAZENECA AB (SE) 2007-05-02 EP disclosed
US-20060116385-A1 Novel compounds having selective inhibiting effect at gsk3 ASTRAZENECA AB (SE) 2006-06-01 US disclosed
EP-1575942-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3 AstraZeneca AB (SE) 2005-09-21 EP disclosed
EP-1390034-A4 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2005-07-13 EP disclosed
EP-1399160-A4 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO INC (US) 2004-08-25 EP disclosed
WO-2004055009-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3 ASTRAZENECA AB (SE) 2004-07-01 WO disclosed
EP-1399160-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES Merck & Co., Inc. (US) 2004-03-24 EP disclosed
EP-1390034-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2004-02-25 EP disclosed
WO-2002100352-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO., INC. (US) 2002-12-19 WO disclosed
WO-2002080928-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-10-17 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-20100087396-A1 Novel Compounds Having Selective Inhibiting Effect at GSK3 GSK3B, GSK3A, NR5A2 GSK3B 1/4885CCNE2 500/4885CCNE1 384/4885
US-20060116385-A1 Novel compounds having selective inhibiting effect at gsk3 GSK3B, GSK3A, NR5A2 GSK3B 1/4885CCNE2 416/4885CCNE1 346/4885

“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.