SCHEMBL5074236

SCHEMBL5074236

NC(=O)c1cccc2[nH]c(-c3ccc(N4CCCNCC4)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
ATR Q13535 1/20 0.43
PIM1 P11309 4/20 0.43
CDC7 O00311 2/20 0.43
CDK9 P50750 2/20 0.43
ACVR1 Q04771 6/20 0.42
PIM3 Q86V86 2/20 0.42
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
ACVR1B P36896 1/20 0.41
ACVRL1 P37023 1/20 0.41
JAK2 O60674 1/20 0.41
PARP1 P09874 3/20 0.41
TGFBR1 P36897 1/20 0.41
HDAC11 Q96DB2 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
PRMT5 O14744 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 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
SCHEMBL5077289 0.96 PIM1 (0.46) PIM1CDC7CDK9ACVR1PIM3
SCHEMBL5074308 0.84 MAP2 (0.49) PIM1PIM3JAK2PARP1AURKA
SCHEMBL6028864 0.83 DHODH (0.46) CHRNB2CHRNA4ATRPIM1ACVR1
SCHEMBL5076329 0.82 AURKA (0.49) JAK2PARP1HDAC11PRMT5AURKA
SCHEMBL30418247 0.81 AURKA (0.52) JAK2PARP1HDAC11PRMT5AURKA
SCHEMBL30417930 0.81 PARP1 (0.45) ACVR1PARP1TGFBR1AURKAAURKB
SCHEMBL5073303 0.81 PARP1 (0.45) ACVR1PARP1TGFBR1AURKAAURKB
SCHEMBL5074053 0.81 AURKA (0.52) JAK2PARP1HDAC11PRMT5AURKA
SCHEMBL5074241 0.79 JAK2 (0.51) JAK2PARP1AURKAAURKB
SCHEMBL5076333 0.79 AURKA (0.58) JAK2PARP1AURKAAURKB

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 CHRNB2 2200/4885CHRNA4 2452/4885ATR 349/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 CHRNB2 4171/4885CHRNA4 4174/4885ATR 136/4885

“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.