SCHEMBL492450

SCHEMBL492450

CC(C)(C)OC(=O)c1n[nH]c2nc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 4/20 0.38
STAT3 P40763 1/20 0.38
HIF1A Q16665 1/20 0.38
GABRA1 P14867 6/20 0.36
GABRG2 P18507 6/20 0.36
GABRB3 P28472 6/20 0.36
GABRA3 P34903 6/20 0.36
GABRA2 P47869 6/20 0.36
GABRA5 P31644 5/20 0.36
GABRA4 P48169 4/20 0.36
GABRA6 Q16445 4/20 0.36
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
POLB P06746 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32

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
SCHEMBL30526295 1.00 ALDH1A1 (0.45) ALDH1A1LMNAKDM4ESTAT3HIF1A
SCHEMBL14026572 0.81 KDM4E (0.55) ALDH1A1LMNAKDM4ESTAT3HIF1A
SCHEMBL492273 0.79 ALDH1A1 (0.56) ALDH1A1LMNAKDM4ESTAT3HIF1A
SCHEMBL30526306 0.79 ALDH1A1 (0.40) ALDH1A1LMNAKDM4ESTAT3HIF1A
SCHEMBL25969374 0.79 ALDH1A1 (0.40) ALDH1A1LMNAKDM4ESTAT3HIF1A
SCHEMBL8802172 0.76 ADORA2A (0.37) KDM4ESTAT3HIF1AADORA2AADORA1
SCHEMBL8801559 0.75 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL8801593 0.75 KDM4E (0.41) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL25343179 0.75 PTGER4 (0.40) ALDH1A1LMNADYRK1A
SCHEMBL30526303 0.75 PTGER4 (0.40) ALDH1A1LMNADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-8404856-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
US-8273891-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-25 US disclosed
US-20120232062-A1 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION EIGER BIOPHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-20120232062-A1 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION EIGER BIOPHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-8106066-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-01-31 US disclosed
WO-2011049987-A2 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION EIGER BIOPHARMACEUTICALS, INC. (US) 2011-04-28 WO disclosed
US-7932248-B2 3-(1,4-Diazabicyclo[3.2.2]non-4-ylcarbonyl)-5-(tetrahydro-2H-pyran-4-yloxy)-1H-indazole,nicotinic receptor agonists; particularly ligands for the nicotinic alpha-7-receptor(alpha 7 nAChR subtype); brain disorders; neuroprotectants; strokes; antiischemic agents; glutamate-induced excitotoxicity MEMORY PHARMACEUTICALS CORPORATION (US) 2011-04-26 US disclosed
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ANTHONY NEVILLE J 2010-11-11 US disclosed
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
WO-2007056582-A1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-05-18 WO disclosed
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2007-04-05 US disclosed
WO-2007038367-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-04-05 WO disclosed
WO-2007024789-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2007-03-01 WO disclosed
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 US disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 US disclosed
EP-0627432-B1 6-Piperazinyl-1H-pyrazolo [3,4-b]pyridine-3-carboxylic Acids, Esters, Amides and related compounds, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1997-09-03 EP disclosed
EP-0627432-A1 6-Piperazinyl-1H-pyrazolo [3,4-b]pyridine-3-carboxylic Acids, Esters, Amides andrelated compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-12-07 EP disclosed
US-5300498-A Treating depression, obsessive compulsive disorder HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-04-05 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 (7 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-20120232062-A1 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION HAVCR2, AZI2, ZC3HAV1 ALDH1A1 564/4885LMNA 4581/4885KDM4E 1163/4885
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RNGTT, RRM2B, RRM2 ALDH1A1 2863/4885LMNA 3081/4885KDM4E 302/4885
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4633/4885LMNA 2277/4885KDM4E 3667/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP ALDH1A1 2944/4885LMNA 1093/4885KDM4E 1641/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 ALDH1A1 1707/4885LMNA 2847/4885KDM4E 3529/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP ALDH1A1 1240/4885LMNA 3717/4885KDM4E 3660/4885
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLB, POLR2A, RRM2B ALDH1A1 2088/4885LMNA 949/4885KDM4E 1113/4885

“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.