SCHEMBL727045

SCHEMBL727045

O=C1CNCc2cc(Br)cnc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MB P02144 1/20 0.41
AURKA O14965 2/20 0.40
DAPK3 O43293 2/20 0.40
PRKD3 O94806 2/20 0.40
MAP4K4 O95819 2/20 0.40
ABL1 P00519 2/20 0.40
NTRK1 P04629 2/20 0.40
RET P07949 2/20 0.40
MET P08581 2/20 0.40
PDGFRB P09619 2/20 0.40
PIM1 P11309 2/20 0.40
FGFR1 P11362 2/20 0.40
PDGFRA P16234 2/20 0.40
FLT1 P17948 2/20 0.40
LTK P29376 2/20 0.40
GRK5 P34947 2/20 0.40
KDR P35968 2/20 0.40
MAP2K2 P36507 2/20 0.40
CSNK1A1 P48729 2/20 0.40
CDK8 P49336 2/20 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
Hydrochloric Acid SCHEMBL726497 0.98 MB (0.40) MBAURKADAPK3PRKD3MAP4K4
SCHEMBL152602 0.81 GSK3B (0.58) MBAURKADAPK3PRKD3MAP4K4
SCHEMBL13564019 0.80 MB (0.41) MBAURKADAPK3PRKD3MAP4K4
SCHEMBL15596228 0.80 MB (0.34) MBPNMTASIC3
SCHEMBL725492 0.79 CRBN (0.51) AURKADAPK3PRKD3MAP4K4ABL1
SCHEMBL29799872 0.79 CRBN (0.51) AURKADAPK3PRKD3MAP4K4ABL1
Bromide SCHEMBL4113407 0.78 CRBN (0.50) AURKADAPK3PRKD3MAP4K4ABL1
SCHEMBL15951381 0.78 MB (0.66) MBAURKADAPK3PRKD3MAP4K4
SCHEMBL1092914 0.77 CRBN (0.43) AURKADAPK3PRKD3MAP4K4ABL1
SCHEMBL16941450 0.76 MB (0.38) MBAURKADAPK3PRKD3MAP4K4

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
EP-4100381-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2022-12-14 EP disclosed
WO-2021158481-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-08-12 WO disclosed
EP-2687533-B1 Acrylamide derivatives as FAB I inhibitors DEBIOPHARM INT SA (CH) 2017-07-19 EP disclosed
EP-2054422-B1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS DEBIOPHARM INT SA (CH) 2017-06-14 EP disclosed
EP-2882738-B1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-05-31 EP disclosed
EP-2882739-B1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-05-03 EP disclosed
US-9315522-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-04-19 US disclosed
US-9315522-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-04-19 US disclosed
US-9296760-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-03-29 US disclosed
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP disclosed
WO-2008009122-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2008-01-24 WO disclosed
EP-1828167-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS Affinium Pharmaceuticals, Inc. (CA) 2007-09-05 EP disclosed
WO-2007053131-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-05-10 WO disclosed
US-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-08-17 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
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
EP-1575951-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY Affinium Pharmaceuticals, Inc. (CA) 2005-09-21 EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
WO-2004052890-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-06-24 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 (3 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-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AADAC, AZI2, DCXR MB 1551/4885AURKA 1958/4885DAPK3 1839/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF MB 1817/4885AURKA 1410/4885DAPK3 1769/4885
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL MB 3053/4885AURKA 2103/4885DAPK3 3460/4885

“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.