SCHEMBL9943950

SCHEMBL9943950

Cn1c(N2CCOC[C@H]2CF)nc(-c2ncncc2F)cc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.41
▸ CYP1A2 P05177 5/20 0.40
▸ CYP2D6 P10635 5/20 0.40
▸ CSNK1A1 P48729 1/20 0.38
▸ GSK3A P49840 1/20 0.38

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
SCHEMBL9943993 0.87 GSK3B (0.49) GSK3BCYP1A2CYP2D6
SCHEMBL697113 0.84 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL696621 0.84 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL697682 0.84 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL698483 0.83 GSK3B (0.58) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A
SCHEMBL696677 0.83 GSK3B (0.58) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A
SCHEMBL696844 0.83 GSK3B (0.58) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A
SCHEMBL8232562 0.76 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL697778 0.76 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL8232479 0.75 GSK3B (0.54) GSK3BCYP1A2CYP2D6

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
US-20120220591-A1 PYRIMIDONE COMPOUNDS SANOFI (FR) 2012-08-30 — — US claimed
US-8940738-B2 Pyrimidone compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-01-27 — — US disclosed
US-8940738-B2 Pyrimidone compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-01-27 — — US disclosed
US-8940738-B2 Pyrimidone compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-01-27 — — US disclosed
US-20120220591-A1 PYRIMIDONE COMPOUNDS SANOFI (FR) 2012-08-30 — — US disclosed
US-20120220591-A1 PYRIMIDONE COMPOUNDS SANOFI (FR) 2012-08-30 — — US disclosed
US-20120220591-A1 PYRIMIDONE COMPOUNDS SANOFI (FR) 2012-08-30 — — US disclosed
EP-2464639-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-20120220591-A1 PYRIMIDONE COMPOUNDS MAPT, PRNP, PSEN1 GSK3B 310/4885CYP1A2 2029/4885CYP2D6 1595/4885

“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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