SCHEMBL12130992

SCHEMBL12130992

COc1c(F)c(F)c(N)c2c(=O)c(C#N)cn(C3CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.44
CACNA1F O60840 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
CACNA1D Q01668 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
KDM1A O60341 1/20 0.34

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
SCHEMBL15241595 0.82 GSK3B (0.36) GSK3B
SCHEMBL1344616 0.80 GSK3B (0.54) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL500863 0.80 GSK3B (0.64) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL1344872 0.79 GSK3B (0.37) GSK3BPOLBKCNH2TOP2ATOP2B
SCHEMBL14208163 0.78 KDM4E (0.43) GSK3BPOLBKCNH2TOP2ATOP2B
SCHEMBL7496537 0.78 GSK3B (0.49) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL1342667 0.77 GSK3B (0.75) GSK3B
SCHEMBL12131079 0.76 GSK3B (0.62) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9516024 0.74 CACNA1F (0.46) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9516017 0.74 CACNA1F (0.46) GSK3BCACNA1FPOLBMAPK1CACNA1D

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
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 EP disclosed
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 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-20070254866-A1 Aminoquinolones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885CACNA1F 4334/4885POLB 1543/4885

“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.