SCHEMBL5074308

SCHEMBL5074308

CN1CCCN(c2ccc(-c3cc4c(C(N)=O)cccc4[nH]3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.49
JAK2 O60674 5/20 0.48
JAK1 P23458 3/20 0.48
TYK2 P29597 3/20 0.48
JAK3 P52333 3/20 0.48
PARP1 P09874 2/20 0.46
FYN P06241 2/20 0.46
AURKA O14965 2/20 0.45
AURKB Q96GD4 1/20 0.45
CHEK1 O14757 2/20 0.45
HRH4 Q9H3N8 3/20 0.44
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
KDR P35968 1/20 0.42
CHEK2 O96017 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
SCHEMBL5076329 0.87 AURKA (0.49) MAP2JAK2PARP1AURKAAURKB
SCHEMBL5077266 0.86 AURKA (0.62) MAP2PARP1AURKAAURKBTLR9
SCHEMBL5076333 0.84 AURKA (0.58) MAP2JAK2JAK1TYK2JAK3
SCHEMBL5073303 0.84 PARP1 (0.45) MAP2PARP1AURKAAURKBHRH4
SCHEMBL30417930 0.84 PARP1 (0.45) MAP2PARP1AURKAAURKBHRH4
SCHEMBL5074053 0.84 AURKA (0.52) MAP2JAK2JAK1TYK2JAK3
SCHEMBL30418247 0.84 AURKA (0.52) MAP2JAK2JAK1TYK2JAK3
SCHEMBL5074236 0.84 CHRNB2 (0.43) JAK2PARP1AURKAAURKBPIM1
SCHEMBL5077289 0.84 PIM1 (0.46) JAK2PARP1AURKAAURKBPIM1
SCHEMBL6029661 0.83 PARP1 (0.46) MAP2JAK2JAK1TYK2JAK3

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 MAP2 1077/4885JAK2 4538/4885JAK1 4016/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 MAP2 811/4885JAK2 1891/4885JAK1 3776/4885

“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.