SCHEMBL4033385

SCHEMBL4033385

COc1ccc(C#N)cc1[C@H]1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCO1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.61
CYP2D6 P10635 10/20 0.61
CYP1A2 P05177 5/20 0.61

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
SCHEMBL4028838 1.00 GSK3B (0.61) GSK3BCYP2D6CYP1A2
SCHEMBL4025317 0.93 GSK3B (0.64) GSK3BCYP2D6CYP1A2
SCHEMBL4033334 0.93 GSK3B (0.64) GSK3BCYP2D6CYP1A2
SCHEMBL82933 0.90 GSK3B (0.62) GSK3BCYP2D6CYP1A2
SCHEMBL87976 0.90 GSK3B (0.68) GSK3BCYP2D6CYP1A2
SCHEMBL4026973 0.90 GSK3B (0.77) GSK3BCYP2D6CYP1A2
SCHEMBL4028542 0.90 GSK3B (0.77) GSK3BCYP2D6CYP1A2
SCHEMBL82286 0.89 GSK3B (0.55) GSK3BCYP2D6CYP1A2
SCHEMBL4030996 0.88 GSK3B (0.65) GSK3BCYP2D6CYP1A2
SCHEMBL14063635 0.88 GSK3B (0.65) GSK3BCYP2D6CYP1A2

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 5 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-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-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 (1 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-20050090490-A1 3-Substituted-4-pyrimidone derivatives CDK1, TTBK1, CDK2 GSK3B 247/4885CYP2D6 1144/4885CYP1A2 1336/4885

“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.