SCHEMBL2838426

SCHEMBL2838426

COc1cc2nc(-c3ccccc3)nc(O)c2cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 2/20 0.58
KDM4E B2RXH2 3/20 0.50
STAT6 P42226 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NTSR1 P30989 2/20 0.46
ABCG2 Q9UNQ0 6/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PDGFRB P09619 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
SCHEMBL8140375 0.84 WHR1 (0.59) WHR1KDM4ESTAT6NPSR1NTSR1
SCHEMBL5257184 0.80 WHR1 (0.54) WHR1KDM4ESTAT6NPSR1NTSR1
SCHEMBL7813723 0.78 MTNR1A (0.56) KDM4EABCG2MAPTLMNAMEN1
SCHEMBL24792134 0.77 PDE4A (0.51) KDM4EMAPTLMNAPDGFRBPDGFRA
SCHEMBL3459996 0.77 WHR1 (0.54) WHR1KDM4ESTAT6NPSR1NTSR1
SCHEMBL2842424 0.77 KDM4E (0.56) WHR1KDM4EABCG2MAPTLMNA
SCHEMBL24393198 0.77 WHR1 (0.73) WHR1KDM4ESTAT6NPSR1NTSR1
SCHEMBL12033647 0.76 MEN1 (0.53) KDM4ENPSR1NTSR1ABCG2ABCB1
SCHEMBL5258730 0.76 WHR1 (0.52) WHR1KDM4ESTAT6NPSR1NTSR1
SCHEMBL2836126 0.76 TDO2 (0.46) WHR1KDM4ENPSR1ABCG2ABCB1

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
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
EP-1912981-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2010-01-20 EP disclosed
EP-1912981-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2010-01-20 EP disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
EP-1912981-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
WO-2007014927-A2 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 (1 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-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 WHR1 1592/4885KDM4E 4584/4885STAT6 3932/4885

“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.