Sugi Predict

Sugi Predict / Compounds / SCHEMBL630127

SCHEMBL630127

SCHEMBL630127

NC(=O)[CH]Cc1ccccc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ METAP2 P50579 1/20 0.42
▸ BCAT2 O15382 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ADRA1D P25100 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37

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
SCHEMBL8930563 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL630666 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL4024234 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL6336723 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL83923 0.81 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL6924561 0.79 ALDH1A1 (0.44) KDM4EALDH1A1HPGDMAPTTSHR
Ammonia Solution, Strong SCHEMBL4442413 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL176890 0.79 BCAT2 (0.44) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL3593547 0.79 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL4553805 0.79 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771327-B1 NOVEL PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 — — EP claimed
US-9403808-B2 Pyrazine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-08-02 — — US claimed
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 — — EP claimed
EP-2771327-A1 NOVEL PYRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-03 — — EP claimed
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 — — US claimed
WO-2013060751-A1 NOVEL PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 — — WO claimed
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 — — EP claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 — — US claimed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 — — US claimed
EP-1765325-A4 2-SUBSTITUTED HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2009-08-12 — — EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 — — US claimed
US-20060063739-A1 2-Substituted heteroaryl compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2006-03-23 — — US claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 — — WO claimed
WO-2006007532-A2 2-SUBSTITUTED HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-01-19 — — WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 — — EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 — — EP claimed
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B RUGGERI ROGER (US) 2002-09-19 — — US claimed
US-6369075-B1 7[4′-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and method of inhibiting the secretion of apolipoprotein B PFIZER, INC. 2002-04-09 — — US claimed
EP-1099701-A1 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B Pfizer Products Inc. (US) 2001-05-16 — — EP claimed
WO-1998050421-A1 ANALGESIC PEPTIDOMIMETIC COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1998-11-12 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 KDM4E 970/4885ALDH1A1 662/4885HPGD 2321/4885
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B APOB, CETP, PNLIP KDM4E 3538/4885ALDH1A1 752/4885HPGD 2015/4885
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES CNR2, CNR1, GPR174 KDM4E 1883/4885ALDH1A1 2419/4885HPGD 1512/4885
US-20060063739-A1 2-Substituted heteroaryl compounds IL2, IL4, IL2RA KDM4E 4142/4885ALDH1A1 1298/4885HPGD 592/4885

“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.