SCHEMBL12417451

SCHEMBL12417451

CCOC(=O)/C(=C\NC(C)(C)CO)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.37
NPSR1 Q6W5P4 4/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
DHODH Q02127 3/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 2/20 0.33
STAT1 P42224 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL1343209 0.91 GAA (0.36) GAANPSR1MAPTMEN1KMT2A
SCHEMBL1343210 0.91 GAA (0.36) GAANPSR1MAPTMEN1KMT2A
SCHEMBL9686969 0.89 GAA (0.39) GAANPSR1MAPTMEN1KMT2A
SCHEMBL9686966 0.89 GAA (0.39) GAANPSR1MAPTMEN1KMT2A
SCHEMBL3875356 0.89 GAA (0.36) GAANPSR1MAPTMEN1KMT2A
SCHEMBL2191174 0.85 SMN1; SMN2 (0.36) TDP1SMN1; SMN2
SCHEMBL2191176 0.85 SMN1; SMN2 (0.36) TDP1SMN1; SMN2
SCHEMBL10537823 0.83 GAA (0.35) GAANPSR1MAPTMEN1KMT2A
SCHEMBL9838778 0.83 GAA (0.35) GAANPSR1MAPTMEN1KMT2A
SCHEMBL29281063 0.82 CYP2D6 (0.43) GAANPSR1MAPTMEN1KMT2A

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-8389514-B2 Cyanoaminoquinolones and tetrazoloaminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-03-05 US disclosed
US-8389514-B2 Cyanoaminoquinolones and tetrazoloaminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-03-05 US disclosed
US-20110172219-A1 CYANOAMINOQUINOLONES AND TETRAZOLOAMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 US disclosed
US-20110172219-A1 CYANOAMINOQUINOLONES AND TETRAZOLOAMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 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-20110172219-A1 CYANOAMINOQUINOLONES AND TETRAZOLOAMINOQUINOLONES AS GSK-3 INHIBITORS GSK3A, GSK3B, GSKIP GAA 2161/4885NPSR1 4705/4885MAPT 634/4885

“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.