SCHEMBL5072015

SCHEMBL5072015

NC(=O)c1cccn2cc(-c3nccc4ccccc34)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.48
PARP1 P09874 3/20 0.39
KDM4E B2RXH2 4/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
F2 P00734 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CDC7 O00311 1/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
PLG P00747 1/20 0.36

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
SCHEMBL5073373 0.82 DHODH (0.50) DHODHPARP1KDM4EPOLBSMN1; SMN2
SCHEMBL5250303 0.82 DHODH (0.38) DHODHKDM4ESMN1; SMN2F2L3MBTL1
SCHEMBL5074057 0.81 DHODH (0.46) DHODHPARP1KDM4ESMN1; SMN2CLK1
SCHEMBL5077292 0.80 DHODH (0.52) DHODHPARP1KDM4EPOLBSMN1; SMN2
SCHEMBL5852242 0.80 DHODH (0.47) DHODHPARP1KDM4EPOLBSMN1; SMN2
SCHEMBL5071964 0.78 DHODH (0.76) DHODHPARP1KDM4ESMN1; SMN2CLK1
SCHEMBL5074030 0.77 DHODH (0.49) DHODHPARP1KDM4ESMN1; SMN2CLK1
SCHEMBL5076319 0.76 DHODH (0.60) DHODHPARP1KDM4EPOLBSMN1; SMN2
SCHEMBL5073318 0.76 DHODH (0.82) DHODHPARP1KDM4ESMN1; SMN2CLK1
SCHEMBL5072044 0.75 DHODH (0.50) DHODHPARP1KDM4ESMN1; SMN2CLK1

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 4220/4885PARP1 1/4885KDM4E 4023/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 DHODH 1990/4885PARP1 1/4885KDM4E 3082/4885

“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.