SCHEMBL5074241

SCHEMBL5074241

NC(=O)c1cccc2[nH]c(-c3ccc(N4CCCN(Cc5ccccc5)CC4)cc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.51
AURKB Q96GD4 3/20 0.49
KDR P35968 2/20 0.49
AURKA O14965 2/20 0.49
PARP1 P09874 9/20 0.48
DRD4 P21917 2/20 0.43
DHODH Q02127 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
ALK Q9UM73 1/20 0.42
MAPK14 Q16539 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
SCHEMBL5073429 0.96 JAK2 (0.54) JAK2AURKBKDRAURKAPARP1
SCHEMBL30417801 0.96 JAK2 (0.54) JAK2AURKBKDRAURKAPARP1
SCHEMBL5076329 0.88 AURKA (0.49) JAK2AURKBAURKAPARP1
SCHEMBL6028570 0.85 JAK2 (0.49) JAK2AURKBKDRAURKAPARP1
SCHEMBL5077266 0.84 AURKA (0.62) AURKBAURKAPARP1HTR2AHTR2C
SCHEMBL30418247 0.83 AURKA (0.52) JAK2AURKBAURKAPARP1
SCHEMBL5074053 0.83 AURKA (0.52) JAK2AURKBAURKAPARP1
SCHEMBL5074308 0.82 MAP2 (0.49) JAK2AURKBKDRAURKAPARP1
SCHEMBL5076333 0.82 AURKA (0.58) JAK2AURKBAURKAPARP1
SCHEMBL6028613 0.81 JAK2 (0.51) JAK2AURKBKDRAURKAPARP1

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 JAK2 4538/4885AURKB 2091/4885KDR 1436/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 JAK2 1891/4885AURKB 151/4885KDR 1914/4885

“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.