SCHEMBL4869351

SCHEMBL4869351

COc1cccc(C(C)=O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ PKM P14618 1/20 0.46
▸ AR P10275 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KCNK3 O14649 1/20 0.44
▸ KCNK9 Q9NPC2 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL104452 0.88 PKM (0.59) TDP1HPGDKDM4EPOLBCTDSP1
SCHEMBL16955551 0.88 TDP1 (0.50) TDP1HPGDKDM4EPOLBCTDSP1
SCHEMBL29740471 0.88 PKM (0.59) TDP1HPGDKDM4EPOLBCTDSP1
SCHEMBL28390304 0.87 MAPT (0.60) TDP1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL1977244 0.85 HPGD (0.49) TDP1HPGDKDM4EPOLBCTDSP1
SCHEMBL167965 0.85 TDP1 (0.61) TDP1HPGDKDM4EPOLBCTDSP1
SCHEMBL2521491 0.85 HPGD (0.52) TDP1HPGDKDM4EPOLBCTDSP1
SCHEMBL30542564 0.85 TDP1 (0.61) TDP1HPGDKDM4EPOLBCTDSP1
SCHEMBL10908860 0.84 POLB (0.47) KDM4EPOLBL3MBTL1SMN1; SMN2RAB9A
SCHEMBL9747334 0.83 MAPT (0.48) TDP1HPGDKDM4EPOLBCTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251617-B1 (AZA)QUINOLINE 4-AMINES DERIVATIVES AS P2X3 INHIBITORS CHIESI FARM SPA (IT) 2025-03-12 — — EP disclosed
WO-2024003535-A2 COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2024-01-04 — — WO disclosed
US-20230416233-A1 (AZA)QUINOLINE 4-AMINES DERIVATIVES AS P2X3 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-12-28 — — US disclosed
CN-116583510-A (aza) quinolin-4-amine derivatives as P2X3 inhibitors 奇斯药制品公司 2023-08-11 — — CN disclosed
EP-3307067-B1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME LLC (US) 2022-11-02 — — EP disclosed
CN-111646973-B Polysubstituted quinazoline derivative and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-19 — — CN disclosed
CN-111646973-A Polysubstituted quinazoline derivative and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-09-11 — — CN disclosed
US-10688082-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2020-06-23 — — US disclosed
EP-2984088-B1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES LLC (US) 2019-03-20 — — EP disclosed
US-20180193314-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2018-07-12 — — US disclosed
WO-2013050527-A1 QUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-04-11 — — WO disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 — — US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 — — US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 — — US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 — — US disclosed
US-7364881-B1 Biological process for the conversion of nitroarenes to ortho-aminophenols using recombinant E. coli strains UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2008-04-29 — — US disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 — — WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 — — WO disclosed
US-4666499-A Herbicidal 2 methyl-4-phosphinylcinnolinium hydroxide inner salts E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-19 — — US disclosed
US-4620000-A Method for preparing 4-hydroxycinnolines in a pH controlled system SHELL OIL COMPANY (US) 1986-10-28 — — US 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 (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-10688082-B2 Aminopyrazine compounds with A2A antagonist properties ADORA2A, ADORA1, ADORA3 TDP1 1310/4885HPGD 2922/4885KDM4E 2946/4885
US-20180193314-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 TDP1 1310/4885HPGD 2922/4885KDM4E 2946/4885
US-20230416233-A1 (AZA)QUINOLINE 4-AMINES DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX5, P2RX1 TDP1 2458/4885HPGD 802/4885KDM4E 1552/4885
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 TDP1 1158/4885HPGD 969/4885KDM4E 1007/4885

“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.

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