SCHEMBL2855415

SCHEMBL2855415

COc1ccc(C2=CCCN(c3nc(-c4ccncn4)cc(=O)n3C)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.63
CYP2D6 P10635 6/20 0.63
CYP1A2 P05177 5/20 0.60
CYP3A4 P08684 2/20 0.60

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
SCHEMBL8334252 0.90 GSK3B (0.55) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL8337420 0.90 GSK3B (0.62) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL8334304 0.90 GSK3B (0.61) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL15436297 0.89 GSK3B (0.60) GSK3BCYP2D6CYP1A2
SCHEMBL2851192 0.89 GSK3B (0.61) GSK3BCYP2D6CYP1A2
SCHEMBL8337413 0.89 GSK3B (0.60) GSK3BCYP2D6CYP1A2
SCHEMBL2852846 0.89 GSK3B (0.60) GSK3BCYP2D6CYP1A2
SCHEMBL2858750 0.89 GSK3B (0.59) GSK3BCYP2D6CYP1A2
SCHEMBL2857709 0.89 GSK3B (0.62) GSK3BCYP2D6CYP1A2
SCHEMBL8336895 0.88 GSK3B (0.58) GSK3BCYP2D6CYP1A2CYP3A4

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 8 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
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
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
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

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 129/4885CYP2D6 2368/4885CYP1A2 2560/4885

“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.