SCHEMBL9943987

SCHEMBL9943987

Cn1c(OC2CCN(c3ccc(N4CCNCC4)cc3)CC2)nc(-c2ccncn2)cc1=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 20/20 0.52
▸ CYP1A2 P05177 3/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 4/20 0.47

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
SCHEMBL11904953 0.92 GSK3B (0.46) GSK3BCYP2D6
SCHEMBL9943948 0.92 GSK3B (0.46) GSK3BCYP1A2CYP3A4CYP2D6
SCHEMBL9944040 0.90 GSK3B (0.64) GSK3BCYP1A2CYP3A4CYP2D6
SCHEMBL11904985 0.89 GSK3B (0.58) GSK3BCYP1A2CYP3A4CYP2D6
SCHEMBL9943949 0.88 GSK3B (0.53) GSK3B
SCHEMBL11905022 0.87 GSK3B (0.50) GSK3BCYP1A2CYP3A4CYP2D6
SCHEMBL11905124 0.86 GSK3B (0.54) GSK3BCYP1A2CYP3A4CYP2D6
SCHEMBL11905032 0.86 GSK3B (0.51) GSK3BCYP1A2CYP3A4CYP2D6
SCHEMBL9943983 0.86 GSK3B (0.57) GSK3BCYP1A2CYP3A4CYP2D6
SCHEMBL11905184 0.85 GSK3B (0.48) GSK3BCYP1A2CYP3A4CYP2D6

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-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 — — US claimed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 — — US claimed
EP-2464632-A1 PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2012-06-20 — — EP claimed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 — — US disclosed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 — — US disclosed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 — — US disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 — — US disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 — — US disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 — — US disclosed
EP-2464632-A1 PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2012-06-20 — — EP 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-20120208797-A1 PYRIMIDONE DERIVATIVES PSEN1, PRNP, PSEN2 GSK3B 256/4885CYP1A2 3190/4885CYP3A4 4547/4885

“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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