Sugi Predict

Sugi Predict / Compounds / SCHEMBL9045499

SCHEMBL9045499

SCHEMBL9045499

CCOC(=O)CC(=O)Nc1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.68
▸ NPC1 O15118 5/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ HSD17B10 Q99714 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ PKM P14618 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ HTT P42858 1/20 0.54
▸ NOS2 P35228 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51

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
SCHEMBL13968405 0.85 GAA (0.64) GAANPC1RAB9AHSD17B10CYP1A2
SCHEMBL7926975 0.85 HDAC4 (0.67) GAANPC1RAB9APKMTP53
SCHEMBL6179239 0.83 NPC1 (0.60) GAANPC1RAB9APKMHTT
SCHEMBL29655094 0.83 NPC1 (0.60) GAANPC1RAB9APKMHTT
SCHEMBL6245092 0.82 GAA (1.00) GAANPC1RAB9AHSD17B10CYP1A2
SCHEMBL30071250 0.80 GAA (0.76) GAANPC1RAB9AHSD17B10CYP1A2
SCHEMBL626827 0.80 GAA (0.76) GAANPC1RAB9AHSD17B10CYP1A2
SCHEMBL11538222 0.80 NPC1 (0.64) GAANPC1RAB9APKMHTT
SCHEMBL7358505 0.80 LMNA (0.52) GAANPC1RAB9APKMHTT
SCHEMBL16428962 0.79 PKM (0.51) GAANPC1RAB9APKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 — — EP disclosed
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 — — US disclosed
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 — — US disclosed
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 — — US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 — — US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 — — US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 — — US disclosed
EP-2890696-A1 QUINAZOLINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN, INC. (US) 2015-07-08 — — EP disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 — — US disclosed
EP-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 — — EP disclosed
WO-2014036022-A1 QUINAZOLINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. (US) 2014-03-06 — — WO disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 — — US disclosed
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES NO ZAESUNG (KR) 2013-01-10 — — US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 — — US disclosed
WO-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 — — WO disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 — — WO disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 — — US disclosed
EP-0452873-B1 1,8-Naphthyridin-2-one derivatives KYOWA HAKKO KOGYO KK (JP) 1996-07-03 — — EP disclosed
US-5126341-A Treatment of rheumarthritis KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-06-30 — — US disclosed
EP-0452873-A1 1,8-Naphthyridin-2-one derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-10-23 — — 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 (5 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-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof TNKS, TPI1, TNKS1BP1 GAA 249/4885NPC1 3907/4885RAB9A 2806/4885
US-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 GAA 949/4885NPC1 402/4885RAB9A 1091/4885
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D GAA 885/4885NPC1 261/4885RAB9A 860/4885
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 GAA 2894/4885NPC1 2555/4885RAB9A 2472/4885
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D GAA 1634/4885NPC1 843/4885RAB9A 755/4885

“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.