SCHEMBL2214657

SCHEMBL2214657

COc1cccc2c(O)nc(-c3ccccc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.52
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
TNKS O95271 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
WHR1 P49842 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NQO2 P16083 2/20 0.42
TOP2A P11388 2/20 0.42
TOP2B Q02880 2/20 0.42

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
SCHEMBL13313203 0.83 KMT2A (0.54) PDE10AAURKAAURKBTNKSTNKS2
SCHEMBL2836126 0.82 TDO2 (0.46) AURKAAURKBKMT2ALMNAMEN1
SCHEMBL13313215 0.79 PARP1 (0.50) TNKSTNKS2KMT2ALMNAMEN1
SCHEMBL15857826 0.79 KDM4E (0.45) PDE10ATNKSTNKS2PARP2KMT2A
SCHEMBL8073660 0.77 KDM4E (0.44) KMT2ALMNAMEN1ABCG2KDM4E
SCHEMBL15268291 0.76 KDM4E (0.49) PDE10ATNKSTNKS2PARP2KMT2A
SCHEMBL30428808 0.76 ADORA2A (0.50) KDM4EALDH1A1HPGD
SCHEMBL22805746 0.76 ADORA2A (0.50) KDM4EALDH1A1HPGD
SCHEMBL2838426 0.75 WHR1 (0.58) KMT2ALMNAMEN1ABCG2KDM4E
SCHEMBL28568819 0.75 DHPS (0.59) KMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754105-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2014-06-17 US disclosed
US-8227407-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2012-07-24 US disclosed
EP-1912996-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN R & D IRELAND (IE) 2012-06-20 EP disclosed
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-09-29 US disclosed
EP-1912997-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-09-14 EP disclosed
US-7989471-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-02 US disclosed
EP-1912995-B1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-07-27 EP disclosed
US-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2010-09-23 US disclosed
US-20100120855-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. 2010-05-13 US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
US-20090062311-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-03-05 US disclosed
EP-1912996-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
EP-1912997-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
EP-1912995-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
EP-1912981-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
WO-2007014925-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014919-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014920-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014927-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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 (5 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-20100120855-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS NR4A1, NR4A3, NR4A2 PDE10A 4207/4885AURKA 4195/4885AURKB 3407/4885
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 PDE10A 4750/4885AURKA 4324/4885AURKB 4347/4885
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus NR4A1, NR4A3, NR4A2 PDE10A 4206/4885AURKA 4208/4885AURKB 3465/4885
US-20090062311-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS HCCS, NR5A1, NR0B1 PDE10A 4054/4885AURKA 4047/4885AURKB 2785/4885
US-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2B6, SRD5A1, NR5A2 PDE10A 3493/4885AURKA 4375/4885AURKB 3817/4885

“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.