SCHEMBL2852617

SCHEMBL2852617

CCn1c2ccccc2c2cc(CN)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
LMNA P02545 3/20 0.67
MAPK1 P28482 2/20 0.67
POLB P06746 2/20 0.67
MAPT P10636 9/20 0.66
ALDH1A1 P00352 4/20 0.66
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
HTT P42858 2/20 0.66
HPGD P15428 2/20 0.66
HSD17B10 Q99714 2/20 0.66
HBB P68871 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
TP53 P04637 8/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
THRB P10828 1/20 0.53
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 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
SCHEMBL24506798 0.88 MAPK1 (0.54) KDM4ELMNAMAPK1POLBMAPT
SCHEMBL6320906 0.87 MAPT (0.67) KDM4ELMNAMAPK1POLBMAPT
SCHEMBL24506859 0.87 MAPK1 (0.56) KDM4ELMNAMAPK1POLBMAPT
SCHEMBL12158838 0.86 KDM4E (0.66) KDM4ELMNAMAPK1POLBMAPT
SCHEMBL10163400 0.86 KDM4E (0.66) KDM4ELMNAMAPK1POLBMAPT
SCHEMBL27275930 0.85 MAPT (0.68) KDM4ELMNAMAPK1POLBMAPT
SCHEMBL2600216 0.83 KDM4E (0.62) KDM4ELMNAMAPK1POLBMAPT
SCHEMBL4849333 0.83 KDM4E (0.67) KDM4ELMNAMAPK1POLBMAPT
SCHEMBL29643256 0.83 KDM4E (0.62) KDM4ELMNAMAPK1POLBMAPT
SCHEMBL1683322 0.83 GPR3 (0.57) KDM4ELMNAMAPK1POLBMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759533-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-08-02 EP disclosed
US-9120776-B2 Condensed heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
US-20140228409-A1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
EP-2759533-A1 CONDENSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-07-30 EP disclosed
US-8232312-B2 Substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
EP-2125718-B1 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2010-09-15 EP disclosed
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 US disclosed
EP-2125718-A2 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP disclosed
WO-2008113760-A2 ARYLSULPHONYGLYCINE DERIVATIVES AS SUPPRESSORS OF THE INTERACTION OF GLYCOGEN PHOSPHORYLASE A WITH THE GL SUBUNIT OF GLYCOGEN-ASSOCIATED PROTEIN PHOSPHATASE 1 (PPL) FOR THE TREATMENT OF METABOLIC DISORDERS, PARTICULARY DIABETES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-25 WO disclosed
CN-1612939-A Method for highly sensitive and continuous detection of Protein Tyrosine Phosphatase (PTP) using 6, 8-difluoro-4-methyl-7-hydroxycoumarin phosphate AVENTIS PHARMA GMBH (DE) 2005-05-04 CN disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 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 (2 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-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 KDM4E 951/4885LMNA 1193/4885MAPK1 1128/4885
US-20140228409-A1 CONDENSED HETEROCYCLIC COMPOUND RORC, RORB, RORA KDM4E 444/4885LMNA 3565/4885MAPK1 2842/4885

“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.