SCHEMBL88169

SCHEMBL88169

Cn1c(N2CCCC(c3ccc(N4CCN(C(=O)OCc5ccccc5)CC4)cc3)C2)nc(-c2ccncc2F)cc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
TMEM97 Q5BJF2 8/20 0.40
SIGMAR1 Q99720 8/20 0.40
PDE4B Q07343 1/20 0.39
HTR1A P08908 3/20 0.38
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38
ADRA2C P18825 2/20 0.38
TRPC3 Q13507 1/20 0.38
TRPC7 Q9HCX4 1/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
DRD1 P21728 1/20 0.38
HTR1B P28222 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
SCHEMBL8344799 0.89 GSK3B (0.47) GSK3BCYP2D6CYP1A2
SCHEMBL87897 0.87 GSK3B (0.52) GSK3BCYP2D6CYP1A2
SCHEMBL13917306 0.87 GSK3B (0.53) GSK3BCYP2D6CYP1A2
SCHEMBL88125 0.84 GSK3B (0.58) GSK3BCYP2D6CYP1A2
SCHEMBL87840 0.84 GSK3B (0.58) GSK3BCYP2D6CYP1A2
SCHEMBL88324 0.84 GSK3B (0.59) GSK3BCYP2D6CYP1A2
SCHEMBL88085 0.84 GSK3B (0.59) GSK3BCYP2D6CYP1A2
SCHEMBL88187 0.83 GSK3B (0.53) GSK3BCYP2D6CYP1A2
SCHEMBL82780 0.82 GSK3B (0.64) GSK3BCYP2D6CYP1A2
SCHEMBL87934 0.81 GSK3B (0.56) GSK3BCYP2D6CYP1A2

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-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
WO-2006036015-A2 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2006-04-06 WO 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 89/4885CYP2D6 1266/4885CYP1A2 1897/4885

“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.