SCHEMBL11904979

SCHEMBL11904979

CN1CCN(Cc2cccc(N3CCC(Oc4nc(-c5ccncn5)cc(=O)n4C)CC3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 20/20 0.51
▸ CYP2D6 P10635 6/20 0.49
▸ CYP1A2 P05177 4/20 0.45
▸ CYP3A4 P08684 2/20 0.45

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
SCHEMBL9943975 0.94 GSK3B (0.47) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL11905035 0.92 GSK3B (0.46) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL9943951 0.91 GSK3B (0.53) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL11905121 0.85 GSK3B (0.60) GSK3BCYP2D6
SCHEMBL9944040 0.85 GSK3B (0.64) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL9943939 0.85 GSK3B (0.51) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL9943947 0.85 GSK3B (0.47) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL11905068 0.85 GSK3B (0.52) GSK3BCYP2D6CYP1A2
SCHEMBL11904985 0.84 GSK3B (0.58) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL9943971 0.84 GSK3B (0.47) 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 5 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 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

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 256/4885CYP2D6 3752/4885CYP1A2 3190/4885

“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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