SCHEMBL5071981

SCHEMBL5071981

NC(=O)c1cccn2cc(-c3cnc4ccccc4c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.52
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
PARP1 P09874 5/20 0.43
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
HSP90AA1 P07900 5/20 0.40
IKBKB O14920 1/20 0.40
MAP4K4 O95819 1/20 0.40
CSNK1G2 P78368 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
ALDH1A2 O94788 1/20 0.39
ALDH1A3 P47895 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPKAPK2 P49137 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
SCHEMBL5252808 0.83 DHODH (0.41) DHODHCLK1DYRK1AMAP4K4CSNK1G2
SCHEMBL5073376 0.83 DHODH (0.60) DHODHCLK1DYRK1APARP1ALDH1A2
SCHEMBL5074102 0.82 DHODH (0.49) DHODHCLK1DYRK1APARP1JAK3
SCHEMBL5071964 0.81 DHODH (0.76) DHODHCLK1DYRK1APARP1ALDH1A2
SCHEMBL5074030 0.80 DHODH (0.49) DHODHCLK1DYRK1APARP1ALDH1A2
SCHEMBL5073318 0.79 DHODH (0.82) DHODHCLK1DYRK1APARP1ALDH1A2
SCHEMBL5074229 0.78 DHODH (0.67) DHODHCLK1DYRK1APARP1ALDH1A2
SCHEMBL5072044 0.78 DHODH (0.50) DHODHCLK1DYRK1APARP1IKBKB
SCHEMBL5076347 0.77 DHODH (0.55) DHODHCLK1DYRK1APARP1MAP4K4
SCHEMBL995473 0.77 PARP1 (0.54) PARP1HSP90AA1IKBKBMAP4K4CSNK1G2

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
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO claimed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US claimed
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO disclosed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US disclosed
US-7041675-B2 Heterocyclic compounds and their use as PARP inhibitors ABBOTT GMBH & CO. KG (DE) 2006-05-09 US disclosed
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-07-17 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 (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-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 DHODH 4220/4885CLK1 2733/4885DYRK1A 4153/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 DHODH 1990/4885CLK1 518/4885DYRK1A 1100/4885

“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.