SCHEMBL5071931

SCHEMBL5071931

NC(=O)c1cccn2cc(-c3cccnc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.58
DHODH Q02127 2/20 0.58
AURKA O14965 4/20 0.46
CLK1 P49759 2/20 0.46
DYRK1A Q13627 2/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
MKNK2 Q9HBH9 5/20 0.46
ADORA3 P0DMS8 1/20 0.46
TMIGD3 P0DMS9 1/20 0.46
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PARP1 P09874 2/20 0.44
PARP2 Q9UGN5 1/20 0.44
ALDH1A2 O94788 1/20 0.43
ALDH1A3 P47895 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL5076319 0.86 DHODH (0.60) MKNK1DHODHCLK1DYRK1APKN1
SCHEMBL5071964 0.86 DHODH (0.76) DHODHCLK1DYRK1AADORA3TMIGD3
SCHEMBL5073318 0.84 DHODH (0.82) DHODHCLK1DYRK1AADORA3TMIGD3
SCHEMBL5850651 0.81 DHODH (0.64) DHODHCLK1DYRK1AKMT2APARP1
SCHEMBL5252163 0.81 DHODH (0.45) MKNK1DHODHAURKAMKNK2ADORA3
SCHEMBL5074229 0.81 DHODH (0.67) DHODHCLK1DYRK1AADORA3TMIGD3
SCHEMBL5074013 0.81 DHODH (0.56) DHODHAURKACLK1DYRK1AMKNK2
SCHEMBL5076366 0.80 DHODH (0.63) DHODHCLK1DYRK1ATMIGD3KMT2A
SCHEMBL5852628 0.80 DHODH (0.63) DHODHCLK1DYRK1AKMT2APARP1
SCHEMBL5077267 0.80 ALDH1A1 (0.63) DHODHCLK1DYRK1ATMIGD3KMT2A

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 MKNK1 2381/4885DHODH 4220/4885AURKA 3231/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 MKNK1 3303/4885DHODH 1990/4885AURKA 1972/4885

“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.