SCHEMBL88117

SCHEMBL88117

Cn1c(N2CCC[C@@H](c3ccc(NC(=O)C4CCCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 3/20 0.53
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
NAMPT P43490 1/20 0.40
SHMT2 P34897 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL13019128 0.91 GSK3B (0.53) GSK3BCYP1A2CYP2D6KMT2A
SCHEMBL88118 0.91 GSK3B (0.55) GSK3BCYP1A2CYP2D6KMT2A
SCHEMBL88610 0.89 GSK3B (0.54) GSK3BCYP1A2CYP2D6
SCHEMBL88211 0.87 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL88265 0.87 GSK3B (0.72) GSK3BCYP1A2CYP2D6
SCHEMBL88000 0.87 GSK3B (0.53) GSK3BCYP1A2CYP2D6
SCHEMBL88137 0.86 GSK3B (0.73) GSK3BCYP1A2CYP2D6
SCHEMBL88363 0.86 GSK3B (0.51) GSK3BCYP1A2CYP2D6
SCHEMBL87833 0.84 GSK3B (0.59) GSK3BCYP1A2CYP2D6
SCHEMBL88324 0.84 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 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.