SCHEMBL1093564

SCHEMBL1093564

C=CC(=O)N(C)C(C)c1ccnc2[nH]ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CIT O14578 9/20 0.40
ROCK2 O75116 5/20 0.40
ROCK1 Q13464 3/20 0.40
PRKD3 O94806 2/20 0.40
PRKACA P17612 2/20 0.40
PRKCQ Q04759 2/20 0.40
PRKCD Q05655 2/20 0.40
PKN2 Q16513 2/20 0.40
PRKD2 Q9BZL6 2/20 0.40
MAP4K4 O95819 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
CSNK2A2 P19784 1/20 0.40
MARK3 P27448 1/20 0.40
BMPR1A P36894 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CLK1 P49759 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK9 P50750 1/20 0.40

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
SCHEMBL1093707 0.81 MAP2K1 (0.44) LRRK2AXL
SCHEMBL31541439 0.72 PRKCI (0.50) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL23021726 0.72 PRKCI (0.50) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL31541393 0.72 PRKCI (0.50) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL14895899 0.72 IKBKB (0.49) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL84365 0.71 PRKCI (0.53) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL8687438 0.69 CIT (0.59) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL8688105 0.69 PRKCI (0.55) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL24492983 0.69 PRKCI (0.50) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL31541422 0.69 PRKCI (0.55) CITROCK2ROCK1PRKD3PRKACA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
US-20110098277-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-04-28 US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 US disclosed
US-7741339-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-06-22 US disclosed
US-20090221699-A1 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. DEBIOPHARM INTERNATIONAL SA (CH) 2009-09-03 US disclosed
EP-1560584-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-01-14 EP disclosed
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP disclosed
US-7250424-B2 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-07-31 US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 US disclosed
US-20060116394-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2006-06-01 US disclosed
US-7049310-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-05-23 US disclosed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 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 (6 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-20090221699-A1 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. ACR, NANP, MDN1 CIT 1415/4885ROCK2 4067/4885ROCK1 3551/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 CIT 1029/4885ROCK2 3804/4885ROCK1 3301/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF CIT 1354/4885ROCK2 2173/4885ROCK1 1517/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 CIT 957/4885ROCK2 3723/4885ROCK1 3162/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF CIT 1354/4885ROCK2 2173/4885ROCK1 1517/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 CIT 1029/4885ROCK2 3804/4885ROCK1 3301/4885

“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.