SCHEMBL101507

SCHEMBL101507

Cc1nc(-c2ccc([C@H]3CN(c4nc(-c5ccncn5)cc(=O)n4C)CCO3)cc2)no1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.73
CYP2D6 P10635 13/20 0.73
CYP1A2 P05177 9/20 0.73
CSNK1A1 P48729 1/20 0.73
GSK3A P49840 1/20 0.73

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
SCHEMBL2115078 0.95 GSK3B (0.66) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2602769 0.95 GSK3B (0.66) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2115071 0.95 GSK3B (0.66) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2114659 0.93 GSK3B (0.62) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13722266 0.88 GSK3B (0.83) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2116576 0.87 GSK3B (0.55) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2115261 0.87 GSK3B (0.55) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13721953 0.87 GSK3B (0.84) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4027349 0.87 GSK3B (0.84) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13722127 0.87 GSK3B (0.84) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 US disclosed
US-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 US disclosed
US-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 US disclosed
EP-2193129-B1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2012-10-24 EP disclosed
US-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE SANOFI-AVENTIS (FR) 2012-10-04 US disclosed
US-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE SANOFI-AVENTIS (FR) 2012-10-04 US disclosed
US-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE SANOFI-AVENTIS (FR) 2012-10-04 US disclosed
US-8198437-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
US-8198437-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
US-8198437-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
US-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 US disclosed
EP-2406254-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-01-18 EP disclosed
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-27 US disclosed
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-27 US disclosed
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-27 US disclosed
WO-2010104193-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-16 WO disclosed
WO-2010104193-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-16 WO disclosed
EP-2193129-A1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-06-09 EP disclosed
EP-2078717-A1 6-Pyrimidinyl-pyrimid-2-one derivative sanofi-aventis (FR) 2009-07-15 EP disclosed
WO-2009035162-A1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 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 (3 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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF HRH4, HNMT, CYP3A4 GSK3B 972/4885CYP2D6 25/4885CYP1A2 71/4885
US-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MAPT, PSEN1, PSEN2 GSK3B 562/4885CYP2D6 3712/4885CYP1A2 4207/4885
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MAPT, PSEN1, PSEN2 GSK3B 562/4885CYP2D6 3712/4885CYP1A2 4207/4885

“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.