SCHEMBL88156

SCHEMBL88156

COc1ccc(NC2CCN(c3nc(-c4ccncc4F)cc(=O)n3C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.51
CYP2D6 P10635 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.44
ROCK2 O75116 2/20 0.41

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
SCHEMBL88507 0.91 ROCK2 (0.53) GSK3BCYP2D6CYP1A2CYP3A4ROCK2
SCHEMBL87819 0.88 GSK3B (0.51) GSK3BCYP2D6CYP1A2
SCHEMBL697495 0.87 GSK3B (0.45) GSK3BCYP2D6CYP1A2CYP3A4ROCK2
SCHEMBL697459 0.85 GSK3B (0.53) GSK3BCYP2D6CYP1A2CYP3A4ROCK2
SCHEMBL700400 0.85 GSK3B (0.53) GSK3BCYP2D6CYP1A2CYP3A4ROCK2
SCHEMBL8344145 0.85 GSK3B (0.59) GSK3BCYP2D6CYP1A2
SCHEMBL87929 0.84 GSK3B (0.51) GSK3BCYP2D6CYP1A2
SCHEMBL13917298 0.83 GSK3B (0.61) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL2115015 0.82 GSK3B (0.71) GSK3BCYP2D6CYP1A2
SCHEMBL87814 0.82 GSK3B (0.49) GSK3BCYP2D6CYP1A2ROCK2

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.