SCHEMBL2851684

SCHEMBL2851684

Cn1c(N2CCC=C(c3ccc(Cl)cc3)C2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.58
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 3/20 0.50

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
SCHEMBL8335438 0.91 GSK3B (0.51) GSK3BCYP1A2CYP2D6
SCHEMBL13411617 0.90 GSK3B (0.58) GSK3BCYP1A2CYP2D6
SCHEMBL2851249 0.90 GSK3B (0.61) GSK3BCYP1A2CYP2D6
SCHEMBL8334536 0.90 GSK3B (0.57) GSK3BCYP1A2CYP2D6
SCHEMBL8334540 0.90 GSK3B (0.50) GSK3BCYP1A2CYP2D6
SCHEMBL2851122 0.89 GSK3B (0.59) GSK3BCYP1A2CYP2D6
SCHEMBL2859061 0.89 GSK3B (0.53) GSK3BCYP1A2CYP2D6
SCHEMBL8337384 0.89 GSK3B (0.53) GSK3BCYP1A2CYP2D6
SCHEMBL8334184 0.89 GSK3B (0.58) GSK3BCYP1A2CYP2D6
SCHEMBL2852846 0.88 GSK3B (0.60) GSK3BCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572681-B1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2014-01-22 EP claimed
CN-1726209-B 3-substituted-4-pyrimidone derivatives SANOFI AVENTIS 2011-04-13 CN claimed
US-7683069-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-23 US claimed
US-20070142409-A1 3-Substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION OF OSAKA JAPAN 2007-06-21 US claimed
CN-1726209-A 3-substituted-4-pyrimidone derivatives SANOFI AVENTIS (JP) 2006-01-25 CN claimed
EP-1572681-A1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2005-09-14 EP claimed
WO-2004055007-A1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-07-01 WO claimed
EP-1572681-B1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2014-01-22 EP disclosed
EP-1572681-B1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2014-01-22 EP disclosed
US-7683069-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-23 US disclosed
US-7683069-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-23 US disclosed
US-7683069-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-23 US disclosed
US-20070142409-A1 3-Substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION OF OSAKA JAPAN 2007-06-21 US disclosed
US-20070142409-A1 3-Substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION OF OSAKA JAPAN 2007-06-21 US disclosed
US-20070142409-A1 3-Substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION OF OSAKA JAPAN 2007-06-21 US disclosed
WO-2004055007-A1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-07-01 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-20070142409-A1 3-Substituted-4-pyrimidone derivatives TTBK1, MAPT, TTBK2 GSK3B 129/4885CYP1A2 2560/4885CYP2D6 2368/4885

“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.