SCHEMBL5076347

SCHEMBL5076347

NC(=O)c1cccn2cc(-c3cccc(F)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.55
CLK1 P49759 2/20 0.46
DYRK1A Q13627 2/20 0.46
HPGDS O60760 1/20 0.46
ALDH1A3 P47895 3/20 0.46
HTR2A P28223 1/20 0.45
TP53 P04637 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
PARP1 P09874 2/20 0.42
MAP4K4 O95819 1/20 0.42
ALDH1A2 O94788 1/20 0.42

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
SCHEMBL5074229 0.86 DHODH (0.67) DHODHCLK1DYRK1AALDH1A3HTR2A
SCHEMBL5074013 0.86 DHODH (0.56) DHODHCLK1DYRK1AALDH1A3TP53
SCHEMBL5076366 0.86 DHODH (0.63) DHODHCLK1DYRK1AALDH1A3HTR2A
SCHEMBL5077342 0.85 DHODH (0.55) DHODHCLK1DYRK1AALDH1A3TP53
SCHEMBL5074240 0.85 DHODH (0.55) DHODHCLK1DYRK1AALDH1A3TP53
SCHEMBL1419740 0.84 DHODH (0.52) DHODHCLK1DYRK1ATP53NPC1
SCHEMBL5071964 0.84 DHODH (0.76) DHODHCLK1DYRK1AALDH1A3HTR2A
SCHEMBL5250502 0.82 ALDH1A3 (0.48) DHODHHPGDSALDH1A3HTR2ATP53
SCHEMBL5071971 0.82 ALDH1A3 (0.59) DHODHALDH1A3TP53NPC1RAB9A
SCHEMBL5074282 0.82 DHODH (0.52) DHODHCLK1DYRK1AALDH1A3TP53

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.