SCHEMBL586544

SCHEMBL586544

COc1ccc2ccc(=O)[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
BTK Q06187 1/20 0.39
DYRK1A Q13627 2/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 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
SCHEMBL589178 0.77 SIRT2 (0.56) CLK1SIRT2SIRT1ADORA2AADORA1
SCHEMBL28647686 0.75 PDE3B (0.45) ADORA2AADORA1PDE3BPDE3ACA12
SCHEMBL600816 0.75 SIRT2 (0.42) CLK1SIRT2SIRT1ADORA2AADORA1
SCHEMBL602439 0.75 HCAR1 (0.42) SIRT2SIRT1ADORA2AADORA1PDE3B
SCHEMBL8345240 0.74 SIRT2 (0.45) SIRT2SIRT1ADORA2AADORA1PDE3B
SCHEMBL30564985 0.74 SIRT2 (0.45) SIRT2SIRT1ADORA2AADORA1PDE3B
SCHEMBL11465109 0.74 ADORA1 (0.46) ADORA2AADORA1PDE3BPDE3APOLB
SCHEMBL600970 0.74 CLK1 (0.50) CLK1SIRT2SIRT1ADORA2AADORA1
SCHEMBL4136622 0.74 PDE3B (0.47) ADORA2AADORA1PDE3BPDE3ACA12
SCHEMBL13958735 0.73 CLK1 (0.57) CLK1SIRT2SIRT1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179636-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2021-06-17 US disclosed
US-10640488-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-05-05 US disclosed
US-10640488-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-05-05 US disclosed
US-10633366-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-04-28 US disclosed
US-10633366-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-04-28 US disclosed
EP-3468975-B1 NEW ANTIBACTERIAL COMPOUNDS ACRAF (IT) 2020-04-01 EP disclosed
US-20200095225-A9 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-03-26 US disclosed
US-20200095225-A9 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-03-26 US disclosed
US-20190256495-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-08-22 US disclosed
US-20190256495-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-08-22 US disclosed
EP-2297107-B1 [4-(1-AMINO-ETHYL) -CYCLOHEXYL]-METHYL-AMINE AND [6-(1-AMINO-ETHYL) -TETRAHYDRO- PYRAN-3-YL]-METHYL-AMINE DERIVATIVES AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD (CH) 2013-11-13 EP disclosed
EP-2417141-B1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2013-10-16 EP disclosed
US-8415375-B2 2-hydroxyethyl-1H-quinolin-2-one derivatives and their azaisosteric analogues with antibacterial activity ACTELION PHARMACEUTICALS LTD. (CH) 2013-04-09 US disclosed
US-8349829-B2 [4-(1-amino-ethyl)-cyclohexyl]-methyl-amine and [6-(1-amino-ethyl)-tetrahydro-pyran-3-yl]-methyl-amine derivatives as antibacterials ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
WO-2013003383-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO disclosed
US-20120040989-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD. (CH) 2012-02-16 US disclosed
EP-2417141-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2012-02-15 EP disclosed
US-20110082132-A1 [4-(1-AMINO-EHTYL) - CYCLOHEXYL] -METHYL-AMINE AND [6-(1-AMINO-EHTYL) -TETRAHYDRO-PYRAN-3-YL] -METHYL-AMINE DERIVATIVES AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-07 US disclosed
WO-2010116337-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2010-10-14 WO disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 WO 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-20120040989-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY NQO2, AZI2, Q6ZSR9 CLK1 4173/4885SIRT2 153/4885SIRT1 339/4885
US-20110082132-A1 [4-(1-AMINO-EHTYL) - CYCLOHEXYL] -METHYL-AMINE AND [6-(1-AMINO-EHTYL) -TETRAHYDRO-PYRAN-3-YL] -METHYL-AMINE DERIVATIVES AS ANTIBACTERIALS DOT1L, EHMT1, Q6ZSR9 CLK1 3531/4885SIRT2 3810/4885SIRT1 3915/4885
US-20200095225-A9 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC CLK1 3766/4885SIRT2 1377/4885SIRT1 1466/4885
US-10633366-B2 Antibacterial compounds MRPL21, LAS1L, MRPL19 CLK1 1533/4885SIRT2 1255/4885SIRT1 1053/4885
US-20210179636-A1 ANTIBACTERIAL COMPOUNDS OXA1L, SYMPK, TBCD CLK1 458/4885SIRT2 301/4885SIRT1 354/4885
US-20190256495-A1 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC CLK1 3766/4885SIRT2 1377/4885SIRT1 1466/4885
US-10640488-B2 Antibacterial compounds MRPL21, CLPP, NRDC CLK1 3618/4885SIRT2 1221/4885SIRT1 1297/4885

“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.