SCHEMBL87922

SCHEMBL87922

Cn1c(N2CCC(c3cccc(Br)c3)CC2)nc(-c2ccncc2F)cc1=O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.56
CYP1A2 P05177 5/20 0.56
CYP2D6 P10635 5/20 0.56

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
SCHEMBL88128 0.90 GSK3B (0.61) GSK3BCYP1A2CYP2D6
SCHEMBL88129 0.87 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL87939 0.85 GSK3B (0.72) GSK3BCYP1A2CYP2D6
SCHEMBL13915144 0.84 GSK3B (0.57) GSK3BCYP1A2CYP2D6
SCHEMBL2114606 0.84 GSK3B (0.69) GSK3BCYP1A2CYP2D6
SCHEMBL2116371 0.84 GSK3B (0.69) GSK3BCYP1A2CYP2D6
SCHEMBL2114608 0.84 GSK3B (0.69) GSK3BCYP1A2CYP2D6
SCHEMBL87775 0.82 GSK3B (0.60) GSK3BCYP1A2CYP2D6
SCHEMBL13917291 0.82 GSK3B (0.70) GSK3BCYP1A2CYP2D6
SCHEMBL2115128 0.81 GSK3B (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129377-B2 6-(pyridinyl)-4-pyrimidone derivates as tau protein kinase 1 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129377-B2 6-(pyridinyl)-4-pyrimidone derivates as tau protein kinase 1 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2009-09-24 US disclosed
US-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2009-09-24 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-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, PSEN1 GSK3B 89/4885CYP1A2 1897/4885CYP2D6 1266/4885

“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.