SCHEMBL1674371

SCHEMBL1674371

CN1CCN(c2ccc(C3CCCN(c4nc(-c5ccncc5)cc(=O)n4C)C3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 19/20 0.54
▸ CYP2D6 P10635 4/20 0.52
▸ CYP1A2 P05177 3/20 0.52

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
SCHEMBL13915177 0.94 GSK3B (0.54) GSK3BCYP2D6CYP1A2
SCHEMBL8340405 0.91 GSK3B (0.58) GSK3BCYP2D6CYP1A2
SCHEMBL13915184 0.91 GSK3B (0.58) GSK3BCYP2D6
SCHEMBL13915174 0.89 GSK3B (0.48) GSK3BCYP2D6CYP1A2
SCHEMBL13915179 0.89 GSK3B (0.49) GSK3BCYP2D6CYP1A2
SCHEMBL8342890 0.88 GSK3B (0.68) GSK3BCYP2D6CYP1A2
SCHEMBL1673512 0.87 GSK3B (0.68) GSK3BCYP2D6CYP1A2
SCHEMBL1673572 0.87 GSK3B (0.68) GSK3BCYP2D6CYP1A2
SCHEMBL12806427 0.87 GSK3B (0.55) GSK3BCYP2D6CYP1A2
SCHEMBL1673760 0.87 GSK3B (0.68) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 — — EP disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 — — EP disclosed
CN-1764650-B 2, 3, 6-trisubstituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP 2010-06-16 — — CN disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 — — US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 — — US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 — — US disclosed
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives SANOFI (FR) 2006-11-09 — — US disclosed
CN-1764650-A 2, 3, 6-trisubstituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP (JP) 2006-04-26 — — CN disclosed
EP-1608630-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2005-12-28 — — EP disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 — — 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-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives PSEN1, PSEN2, MAPT GSK3B 265/4885CYP2D6 3086/4885CYP1A2 3310/4885

“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.

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