SCHEMBL4028435

SCHEMBL4028435

Cn1c(NCC(=O)c2ccccc2)nc(-c2ccncc2)cc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 1.00

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
SCHEMBL13910321 0.95 GSK3B (0.90) GSK3B
SCHEMBL13910329 0.94 GSK3B (0.89) GSK3B
SCHEMBL13910440 0.93 GSK3B (0.86) GSK3B
SCHEMBL13910485 0.92 GSK3B (0.85) GSK3B
SCHEMBL13910318 0.92 GSK3B (0.84) GSK3B
SCHEMBL13910845 0.90 GSK3B (0.83) GSK3B
SCHEMBL13910326 0.90 GSK3B (0.82) GSK3B
SCHEMBL13910835 0.90 GSK3B (0.82) GSK3B
SCHEMBL13910315 0.90 GSK3B (0.82) GSK3B
SCHEMBL13910508 0.89 GSK3B (0.80) GSK3B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427615-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION (JP) 2008-09-23 US claimed
US-20050090490-A1 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-04-28 US claimed
EP-1427720-A1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2004-06-16 EP claimed
WO-2003037888-A1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2003-05-08 WO claimed
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 US disclosed
EP-1427720-B1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2009-03-04 EP disclosed
EP-1427720-B1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2009-03-04 EP disclosed
US-7427615-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION (JP) 2008-09-23 US disclosed
US-7427615-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION (JP) 2008-09-23 US disclosed
US-7427615-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION (JP) 2008-09-23 US disclosed
US-20050090490-A1 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-04-28 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 (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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 GSK3B 377/4885
US-20050090490-A1 3-Substituted-4-pyrimidone derivatives CDK1, TTBK1, CDK2 GSK3B 247/4885

“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.