SCHEMBL730495

SCHEMBL730495

[O]CCCN1CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
ADRA1B P35368 4/20 0.44
ADRA1A P35348 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
CHRM3 P20309 1/20 0.44
CYP2C19 P33261 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL4397526 0.94 PIK3CD (0.47) PIK3CDKMT2AMEN1PKMTSHR
SCHEMBL1446682 0.94 L3MBTL1 (0.44) PIK3CDKMT2AMEN1PKMTSHR
SCHEMBL5424673 0.89 PIK3CD (0.54) PIK3CDKMT2AMEN1PKMTSHR
SCHEMBL729385 0.86
SCHEMBL19514132 0.86 PIK3CD (0.52) PIK3CDKMT2AMEN1PKMTSHR
SCHEMBL31632694 0.86 PIK3CD (0.52) PIK3CDKMT2AMEN1PKMTSHR
SCHEMBL989008 0.86 PIK3CD (0.52) PIK3CDKMT2AMEN1PKMTSHR
SCHEMBL5697292 0.86 PIK3CD (0.52) PIK3CDKMT2AMEN1PKMTSHR
SCHEMBL5044283 0.85 PIK3CD (0.47) PIK3CDKMT2AMEN1PKMTSHR
SCHEMBL10481722 0.84 PIK3CD (0.50) PIK3CDKMT2AMEN1PKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053461-B2 Tetracyclic 4-oxo-pyridine-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2018-08-21 US claimed
EP-3328855-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION H. Hoffnabb-La Roche Ag (CH) 2018-06-06 EP claimed
US-20180127416-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-05-10 US claimed
EP-3215504-A1 NOVEL 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-09-13 EP claimed
US-9637485-B2 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-05-02 US claimed
WO-2017017042-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2017-02-02 WO claimed
WO-2016071215-A1 NOVEL 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-05-12 WO claimed
US-20160122344-A1 Novel 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-05-05 US claimed
US-9139567-B2 Arylpyrazole ethers as inhibitors of leukotriene A4 hydrolase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-22 US claimed
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 US claimed
EP-1492536-B1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-09 EP claimed
EP-2298305-A1 4-(N-Phenylamino)-quinazolines/quinolines as inhibitors of tyrosine kinases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-03-23 EP claimed
US-7262201-B1 For the manufacture of a medicament for use in the production of an antiangiogenic and/or vascular permeability reducing effect in warm-blooded animals ASTRAZENECA AB (SE) 2007-08-28 US claimed
US-7119084-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-10 US claimed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US claimed
US-6924285-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2005-08-02 US claimed
EP-1119567-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-04 EP claimed
EP-1492536-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-05 EP claimed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US claimed
WO-2003082290-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-09 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 (6 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-10053461-B2 Tetracyclic 4-oxo-pyridine-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, CYP2B6, CYP7A1 PIK3CD 3598/4885KMT2A 3540/4885MEN1 3273/4885
US-20160122344-A1 Novel 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, SLC10A1, CYP2D6 PIK3CD 4690/4885KMT2A 1656/4885MEN1 2353/4885
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R PIK3CD 2100/4885KMT2A 1323/4885MEN1 3495/4885
US-20180127416-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP2B6, CYP7A1 PIK3CD 3598/4885KMT2A 3522/4885MEN1 3833/4885
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD PIK3CD 1338/4885KMT2A 4215/4885MEN1 916/4885
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B1, AR, CYP11B2 PIK3CD 1077/4885KMT2A 4308/4885MEN1 1913/4885

“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.