SCHEMBL1093707

SCHEMBL1093707

C=CC(=O)N(C)C(C)c1c[nH]c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.44
JAK3 P52333 1/20 0.42
KMT2A Q03164 1/20 0.42
DYRK1A Q13627 1/20 0.41
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
MTNR1A P48039 1/20 0.40
CAMKK2 Q96RR4 2/20 0.39
AXL P30530 1/20 0.38
MET P08581 3/20 0.38
BTK Q06187 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
NEK2 P51955 1/20 0.36
PLK1 P53350 1/20 0.36
SLC6A4 P31645 1/20 0.36
LRRK2 Q5S007 1/20 0.36
NTRK1 P04629 2/20 0.36
PLCG1 P19174 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
SCHEMBL1093564 0.81 CIT (0.40) AXLLRRK2
SCHEMBL1092317 0.80 NOD2 (0.50) KMT2AGPR84
SCHEMBL726648 0.80 HDAC1 (0.39) MAP2K1KMT2AGRM8GRM4MTNR1A
SCHEMBL726650 0.80 HDAC1 (0.39) MAP2K1KMT2AGRM8GRM4MTNR1A
SCHEMBL725797 0.79 GRM8 (0.41) MAP2K1KMT2AGRM8GRM4MTNR1A
SCHEMBL725799 0.79 GRM8 (0.41) MAP2K1KMT2AGRM8GRM4MTNR1A
SCHEMBL9046899 0.79 AXL (0.49) MAP2K1KMT2ADYRK1AGRM8GRM4
SCHEMBL27678813 0.74 MAP2K1 (0.54) MAP2K1KMT2ADYRK1AGRM8GRM4
SCHEMBL4190015 0.73 MAP2K1 (0.52) MAP2K1KMT2AGRM8GRM4MTNR1A
SCHEMBL12491066 0.72 AXL (0.51) MAP2K1KMT2ADYRK1AGRM8GRM4

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 MAP2K1 2609/4885JAK3 3686/4885KMT2A 3116/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 MAP2K1 3378/4885JAK3 3916/4885KMT2A 4356/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF MAP2K1 2524/4885JAK3 3735/4885KMT2A 4353/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 MAP2K1 3266/4885JAK3 3887/4885KMT2A 4261/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF MAP2K1 2524/4885JAK3 3735/4885KMT2A 4353/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 MAP2K1 3378/4885JAK3 3916/4885KMT2A 4356/4885

“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.