Sugi Predict

Sugi Predict / Compounds / SCHEMBL2279181

SCHEMBL2279181

SCHEMBL2279181

O=C1Nc2ncc(Br)cc2CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ DYRK1A Q13627 3/20 0.34
▸ AURKA O14965 2/20 0.34
▸ DAPK3 O43293 2/20 0.34
▸ PRKD3 O94806 2/20 0.34
▸ MAP4K4 O95819 2/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ NTRK1 P04629 2/20 0.34
▸ RET P07949 2/20 0.34
▸ MET P08581 2/20 0.34
▸ PDGFRB P09619 2/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ PDGFRA P16234 2/20 0.34
▸ FLT1 P17948 2/20 0.34
▸ LTK P29376 2/20 0.34
▸ GRK5 P34947 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ MAP2K2 P36507 2/20 0.34

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
SCHEMBL15074609 0.80 MB (0.39) CYP11B1CYP11B2DYRK1AAURKADAPK3
SCHEMBL2842191 0.79 DYRK1A (0.39) DYRK1AAURKADAPK3PRKD3MAP4K4
SCHEMBL16941391 0.76 CYP11B1 (0.35) CYP11B1CYP11B2DYRK1AAURKADAPK3
SCHEMBL152602 0.74 GSK3B (0.58) DYRK1AAURKADAPK3PRKD3MAP4K4
SCHEMBL18425288 0.72 CYP11B1 (0.38) CYP11B1CYP11B2MB
SCHEMBL29799872 0.72 CRBN (0.51) DYRK1AAURKADAPK3PRKD3MAP4K4
SCHEMBL725492 0.72 CRBN (0.51) DYRK1AAURKADAPK3PRKD3MAP4K4
SCHEMBL29765428 0.72 CYP11B1 (0.38) CYP11B1CYP11B2MB
SCHEMBL15595083 0.72 DYRK1A (0.32) DYRK1A
SCHEMBL21382264 0.72 GSK3A (0.36) CYP11B1CYP11B2PDGFRBKDRGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 — — US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 — — US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 — — US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 — — US disclosed
US-8173646-B2 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-05-08 — — US disclosed
US-20110190283-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-08-04 — — US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 — — US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 — — US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 — — US disclosed
US-7790716-B2 fatty acid biosynthesis inhibitors such as E)-3-(6-aminopyridin-3-yl)-N-methyl-N-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)acrylamide, used fro the treatment of bacterial infections; antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-09-07 — — US disclosed
US-20090275572-A1 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
US-7557125-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-07-07 — — US disclosed
US-7524843-B2 N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide as an enzyme inhibitor for both Fab I and Fab K which are used in the biosynthesis of fatty acids; enoyl-acyl-carrier protein renamed Fab 1; bactericides; fungicides; Staphylococcus aureus; antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-04-28 — — US disclosed
US-20080125423-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2008-05-29 — — US disclosed
US-20050250810-A1 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-11-10 — — US disclosed
CN-1197860-C FAB I inhibitors SMITHKLINE BEECHAM CORP (CA) 2005-04-20 — — CN disclosed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 — — US disclosed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 — — EP 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-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 CYP11B1 2795/4885CYP11B2 3110/4885DYRK1A 4813/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 CYP11B1 2795/4885CYP11B2 3110/4885DYRK1A 4813/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 CYP11B1 2795/4885CYP11B2 3110/4885DYRK1A 4813/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 CYP11B1 979/4885CYP11B2 1128/4885DYRK1A 585/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 CYP11B1 979/4885CYP11B2 1128/4885DYRK1A 585/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 CYP11B1 2795/4885CYP11B2 3110/4885DYRK1A 4813/4885

“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.