SCHEMBL4248124

SCHEMBL4248124

Cn1cnc2ccc(/C=C3\SC(Nc4c(F)cccc4F)=NC3=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
XDH P47989 1/20 0.38
CLK1 P49759 5/20 0.37
DYRK1A Q13627 5/20 0.37
CLK4 Q9HAZ1 5/20 0.37
DYRK1B Q9Y463 5/20 0.37
DYRK3 O43781 3/20 0.37
CLK2 P49760 3/20 0.37
CLK3 P49761 3/20 0.37
DYRK2 Q92630 3/20 0.37
DYRK4 Q9NR20 3/20 0.37
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
GSK3B P49841 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
HDAC4 P56524 2/20 0.35

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
SCHEMBL4248127 1.00 CISD1 (0.39) CISD1KMT2AMEN1XDHCLK1
SCHEMBL5470123 0.89 CLK1 (0.38) CISD1KMT2AMEN1XDHCLK1
SCHEMBL5470120 0.89 CLK1 (0.38) CISD1KMT2AMEN1XDHCLK1
SCHEMBL4245862 0.88 CISD1 (0.40) CISD1KMT2AMEN1XDHCLK1
SCHEMBL4245867 0.88 CISD1 (0.40) CISD1KMT2AMEN1XDHCLK1
SCHEMBL4245427 0.84 CISD1 (0.38) CISD1KMT2AMEN1XDHCLK1
SCHEMBL4245421 0.84 CISD1 (0.38) CISD1KMT2AMEN1XDHCLK1
SCHEMBL4240380 0.83 KMT2A (0.37) CISD1KMT2AMEN1XDHALOX5
SCHEMBL4240381 0.83 KMT2A (0.37) CISD1KMT2AMEN1XDHALOX5
SCHEMBL4243845 0.83 LMNA (0.38) CISD1KMT2AMEN1XDHPIM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US claimed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US claimed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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 (2 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CISD1 2650/4885KMT2A 2981/4885MEN1 3687/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA CISD1 4327/4885KMT2A 3096/4885MEN1 2870/4885

“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.