SCHEMBL4029296

SCHEMBL4029296

Cc1ccccc1[C@H]1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCO1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.77
CYP1A2 P05177 7/20 0.77
CYP2D6 P10635 7/20 0.77
CSNK1A1 P48729 1/20 0.53
GSK3A P49840 1/20 0.53

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
SCHEMBL14063618 1.00 GSK3B (0.77) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A
SCHEMBL4026209 1.00 GSK3B (0.77) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A
SCHEMBL13910587 0.90 GSK3B (0.77) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A
SCHEMBL4030561 0.90 GSK3B (0.78) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A
SCHEMBL4030559 0.90 GSK3B (0.78) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A
SCHEMBL14063552 0.90 GSK3B (0.78) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A
SCHEMBL14063589 0.89 GSK3B (0.75) GSK3BCYP1A2CYP2D6
SCHEMBL4028439 0.89 GSK3B (0.75) GSK3BCYP1A2CYP2D6
SCHEMBL4030475 0.89 GSK3B (0.75) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A
SCHEMBL13910381 0.89 GSK3B (0.75) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A

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 10 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
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
EP-1427720-A1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2004-06-16 EP disclosed
WO-2003037888-A1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2003-05-08 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 (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 247/4885CYP1A2 1336/4885CYP2D6 1144/4885

“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.