SCHEMBL5076306

SCHEMBL5076306

CCC(=O)NC1CCCC(Nc2n[nH]c(=O)c3cccnc23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 1/20 0.45
JAK3 P52333 4/20 0.41
CDC7 O00311 2/20 0.41
DAPK3 O43293 2/20 0.41
MAP4K4 O95819 2/20 0.41
PAK4 O96013 2/20 0.41
PIM1 P11309 2/20 0.41
PRKACA P17612 2/20 0.41
CDK2 P24941 2/20 0.41
FLT3 P36888 2/20 0.41
CSNK1A1 P48729 2/20 0.41
CLK2 P49760 2/20 0.41
GSK3B P49841 2/20 0.41
CDK7 P50613 2/20 0.41
CDK9 P50750 2/20 0.41
PRKX P51817 2/20 0.41
CDK5 Q00535 2/20 0.41
MAP4K2 Q12851 2/20 0.41
STK3 Q13188 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
SCHEMBL6328374 0.92 ROCK2 (0.42) ROCK2ROCK1JAK3CDC7DAPK3
SCHEMBL6324540 0.89 JAK3 (0.48) ROCK2ROCK1JAK3CDC7DAPK3
SCHEMBL6334395 0.87 ROCK2 (0.53) ROCK2ROCK1PARP1L3MBTL1ALDH1A1
SCHEMBL6325693 0.84 BTK (0.45) ROCK2ROCK1JAK3CDC7DAPK3
SCHEMBL6327186 0.82 CD38 (0.41) ROCK2ROCK1PARP1GRM4KAT2B
SCHEMBL6326484 0.81 JAK3 (0.48) ROCK2ROCK1JAK3CDC7DAPK3
SCHEMBL6325659 0.80 BRD4 (0.48) ROCK2JAK3CDC7DAPK3MAP4K4
SCHEMBL6325665 0.80 BRD4 (0.48) ROCK2JAK3CDC7DAPK3MAP4K4
SCHEMBL6325411 0.80 BRD4 (0.48) ROCK2JAK3CDC7DAPK3MAP4K4
SCHEMBL6328830 0.78 HPGD (0.49) ALDH1A1HTT

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 9 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
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 WO 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 ROCK2 1658/4885ROCK1 1474/4885JAK3 2646/4885
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 ROCK2 874/4885ROCK1 821/4885JAK3 3916/4885

“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.