SCHEMBL4023174

SCHEMBL4023174

Nc1ccc(-c2cccnc2F)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 8/20 0.51
ALOX5AP P20292 6/20 0.46
TDO2 P48775 2/20 0.44
CYP11B2 P19099 1/20 0.44
MAPT P10636 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIK3CD O00329 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
AKT1 P31749 1/20 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
SCHEMBL15730148 0.82 MKNK1 (0.57) FEN1ALOX5APTDO2MAP4K4PIK3CD
SCHEMBL13750510 0.80 DHODH (0.46) TDO2CYP11B2MAPTMAOAMAOB
SCHEMBL18255779 0.79 CYP11B2 (0.47) CYP11B2MAPTMAOAMAOBMAP4K4
SCHEMBL15638280 0.79 PIK3CD (0.52) FEN1ALOX5APMAP4K4PIK3CDMKNK1
SCHEMBL4017379 0.78 FEN1 (0.67) FEN1ALOX5APTDO2MAP4K4
SCHEMBL4023179 0.78 FEN1 (0.50) FEN1ALOX5APTDO2MAP4K4PIK3CD
SCHEMBL15723953 0.76 FEN1 (0.43) FEN1ALOX5APMAP4K4PIK3CDMKNK1
SCHEMBL29889779 0.76 CYP2A6 (0.55) TDO2CYP11B2MAPT
SCHEMBL22230844 0.76 CYP11B2 (0.47) CYP11B2MAPTMAOAMAOBMKNK1
SCHEMBL4512712 0.75 FEN1 (0.55) FEN1ALOX5APTDO2MAP4K4PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981964-B2 Maleimide derivatives as modulators of wnt pathway AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-29 US disclosed
US-9981964-B2 Maleimide derivatives as modulators of wnt pathway AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-29 US disclosed
US-9981964-B2 Maleimide derivatives as modulators of wnt pathway AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-29 US disclosed
EP-3083622-B1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY SCIENCE TECH & RES (SG) 2018-03-21 EP disclosed
EP-3083622-B1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY SCIENCE TECH & RES (SG) 2018-03-21 EP disclosed
US-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-03 US disclosed
US-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-03 US disclosed
US-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-03 US disclosed
EP-3083622-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY Agency For Science, Technology And Research (SG) 2016-10-26 EP disclosed
CN-106061974-A Maleimide derivatives as modulators of WNT pathway 新加坡科技研究局 2016-10-26 CN disclosed
WO-2015187094-A1 PHTHALIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-12-10 WO disclosed
WO-2015187094-A1 PHTHALIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-12-10 WO disclosed
WO-2015094118-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-06-25 WO disclosed
WO-2015094118-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-06-25 WO disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R FEN1 4775/4885ALOX5AP 1069/4885TDO2 1518/4885
US-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY WNT1, WNT3, CTNNB1 FEN1 2876/4885ALOX5AP 4151/4885TDO2 160/4885

“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.