SCHEMBL4028511

SCHEMBL4028511

Cn1c(NCC(=O)c2ccc(F)cc2)nc(-c2ccncn2)cc1=O

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.76
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CSNK1A1 P48729 1/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ F2 P00734 1/20 0.42

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
SCHEMBL13721805 0.92 GSK3B (0.64) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A
SCHEMBL13722148 0.92 GSK3B (0.68) GSK3B
SCHEMBL13722185 0.91 GSK3B (0.62) GSK3BCYP2D6
SCHEMBL13721909 0.90 GSK3B (0.70) GSK3B
SCHEMBL13722172 0.90 GSK3B (0.61) GSK3BCYP1A2CYP2D6
SCHEMBL13721987 0.90 GSK3B (0.61) GSK3B
SCHEMBL4031690 0.90 GSK3B (0.75) GSK3BCYP1A2CYP2D6
SCHEMBL4026310 0.89 GSK3B (0.77) GSK3BCYP1A2CYP2D6
SCHEMBL13722101 0.88 GSK3B (0.70) GSK3BCYP2D6
SCHEMBL13722200 0.88 GSK3B (0.59) 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-7572793-B2 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-11 — — US claimed
EP-1427720-B1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2009-03-04 — — EP claimed
EP-1427709-B1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORP (JP) 2005-12-14 — — EP claimed
US-20050130967-A1 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-06-16 — — US claimed
US-7572793-B2 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-11 — — US disclosed
US-7572793-B2 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-11 — — US disclosed
US-7572793-B2 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-11 — — US disclosed
US-20050130967-A1 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-06-16 — — 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-20050130967-A1 3-Substituted-4-pyrimidone derivatives TTBK1, CDK1, MAPT GSK3B 172/4885CYP1A2 2399/4885CYP2D6 2047/4885

“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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