SCHEMBL5076355

SCHEMBL5076355

NC(=O)c1cccn2cc([C@H]3CC[C@@H](N)CC3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
PDE10A Q9Y233 1/20 0.41
PARP1 P09874 7/20 0.38
PARP2 Q9UGN5 2/20 0.37
CHEK1 O14757 2/20 0.36
MAPKAPK2 P49137 2/20 0.36
SRC P12931 1/20 0.35
HTR4 Q13639 3/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
SYK P43405 1/20 0.34
PIM1 P11309 1/20 0.33
TTK P33981 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
ADRA1A P35348 1/20 0.33
JAK2 O60674 1/20 0.32
LCK P06239 1/20 0.32
IGF1R P08069 1/20 0.32
CSNK1D P48730 1/20 0.32

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
SCHEMBL5076361 1.00 DHODH (0.41) DHODHPDE10APARP1PARP2CHEK1
SCHEMBL5071961 0.88 DHODH (0.42) DHODHPDE10APARP1PARP2DYRK1A
SCHEMBL5074310 0.86 PARP1 (0.47) DHODHPDE10APARP1PARP2DYRK1A
SCHEMBL5076301 0.85 PARP1 (0.50) DHODHPDE10APARP1PARP2HTR4
SCHEMBL5074083 0.85 PARP1 (0.49) DHODHPDE10APARP1PARP2CHEK1
SCHEMBL5076312 0.82 PARP1 (0.52) DHODHPDE10APARP1PARP2HTR4
SCHEMBL5076386 0.82 PARP1 (0.43) DHODHPDE10APARP1PARP2HTR4
SCHEMBL5251834 0.81 PDE10A (0.39) DHODHPDE10ASRCIRAK4
SCHEMBL5074300 0.80 PARP1 (0.54) PARP1PARP2HTR4
SCHEMBL5077376 0.79 GAA (0.45) PARP1JAK2

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 4220/4885PDE10A 1854/4885PARP1 1/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 DHODH 1990/4885PDE10A 2860/4885PARP1 1/4885

“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.