SCHEMBL5074332

SCHEMBL5074332

CCN(CC)CCCNc1ccc(-c2cn3cccc(C(N)=O)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.47
DHODH Q02127 1/20 0.47
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44
PIM1 P11309 1/20 0.44
GSK3A P49840 1/20 0.44
RPS6KA3 P51812 1/20 0.44
PRKCD Q05655 1/20 0.44
DYRK1A Q13627 1/20 0.44
PIM3 Q86V86 1/20 0.44
BRSK1 Q8TDC3 1/20 0.44
AURKB Q96GD4 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CHRNA7 P36544 2/20 0.41
KCNH2 Q12809 2/20 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
SCHEMBL5074078 0.94 DHODH (0.48) HRH3DHODHPRKD3PRKCGPIM1
SCHEMBL5076379 0.90 HRH3 (0.48) HRH3DHODHALDH1A1KDM4EKMT2A
SCHEMBL5073323 0.86 DHODH (0.50) HRH3DHODHALDH1A1KDM4EKMT2A
SCHEMBL5260013 0.84 HRH3 (0.65) HRH3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL5077410 0.81 HRH3 (0.69) HRH3DHODHALDH1A1KDM4EKMT2A
SCHEMBL5250733 0.80 ALDH1A1 (0.43) HRH3DHODHALDH1A1KDM4EKMT2A
SCHEMBL5073451 0.80 HRH3 (0.71) HRH3DHODHCHRNA7KCNH2
SCHEMBL5072007 0.78 HRH3 (0.61) HRH3DHODHPIM1PIM3BRSK1
SCHEMBL5074317 0.78 HRH3 (0.62) HRH3DHODHPIM1PIM3BRSK1
SCHEMBL5263823 0.77 HRH3 (0.61) HRH3ALDH1A1KDM4EKMT2AMEN1

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 HRH3 625/4885DHODH 4220/4885PRKD3 574/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 HRH3 174/4885DHODH 1990/4885PRKD3 2370/4885

“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.