SCHEMBL5077264

SCHEMBL5077264

NC(=O)c1cccc2[nH]c(-c3cnc4ccccc4c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.47
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
MAP4K4 O95819 1/20 0.43
CSNK1G2 P78368 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
HSP90AA1 P07900 4/20 0.43
MTOR P42345 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CHEK2 O96017 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
TBK1 Q9UHD2 1/20 0.41
IKBKB O14920 1/20 0.41

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
SCHEMBL6028115 0.83 DHODH (0.50) PARP1PDGFRBPDGFRAMAP4K4CSNK1G2
SCHEMBL5076325 0.82 ADORA3 (0.44) PARP1KDM4EALDH1A1GAAPKN1
SCHEMBL5077425 0.81 ALDH1A1 (0.51) PARP1KDM4EALDH1A1GAACHEK2
SCHEMBL5072021 0.78 KDM4E (0.48) PARP1PDGFRAMAP4K4CLK4KDM4E
SCHEMBL5076412 0.78 NPC1 (0.45) PARP1KDM4EALDH1A1GAAPKN1
SCHEMBL5074093 0.78 KDM4E (0.53) PARP1KDM4EALDH1A1GAAPKN1
SCHEMBL5074225 0.77 BRD4 (0.54) PARP1KDM4EALDH1A1GAACHEK2
SCHEMBL5423443 0.76 NPC1 (0.58) PDGFRBPDGFRATOP2ATOP2BKDM4E
SCHEMBL5074027 0.76 PARP1 (0.49) PARP1KDM4EALDH1A1GAAIKBKB
SCHEMBL5071975 0.76 CDC7 (0.58) PARP1MAP4K4CLK4MKNK2CHEK2

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-7087637-B2 Substituted indoles which are PARP inhibitors BASF AG (DE) 2006-08-08 US disclosed
US-20040067949-A1 Substituted indoles which are parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-08 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 PARP1 1/4885PDGFRB 727/4885PDGFRA 1283/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 PARP1 1/4885PDGFRB 524/4885PDGFRA 591/4885

“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.