SCHEMBL562408

SCHEMBL562408

COC(=O)c1cc(O)c2ccc(OC)c(F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
LCK P06239 2/20 0.40
PDE4D Q08499 3/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.38
NQO2 P16083 2/20 0.37
BACE1 P56817 1/20 0.37
GPR35 Q9HC97 1/20 0.37
DHODH Q02127 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL1166810 0.88 GPR35 (0.50) PDE4DMAPK1MAPTGPR35PIM1
SCHEMBL14919170 0.85 GRM2 (0.42) GRM2LCKMAPK1MAPTNQO2
SCHEMBL561626 0.85 GPR35 (0.47) LCKPDE4DMAPK1MAPTBACE1
SCHEMBL561469 0.84 PDE4D (0.45) LCKPDE4DMAPK1MAPTNQO2
SCHEMBL14393065 0.84 PDE4D (0.35) PDE4DMAPTGPR35PIM1
SCHEMBL13074496 0.84 PDE4D (0.42) LCKPDE4DMAPK1MAPTNQO2
SCHEMBL12809264 0.84 LCK (0.40) GRM2LCKPDE4DMAPK1MAPT
SCHEMBL561388 0.84 RXFP1 (0.40) LCKPDE4DMAPK1MAPTGPR35
SCHEMBL561666 0.81 PDE10A (0.47) LCKPDE4DMAPK1MAPT
SCHEMBL2222961 0.78 ADORA2A (0.47) GRM2LCKMAPK1MAPTNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103204903-A Hepatitis c inhibitor compounds BOEHRINGER INGELHEIM INT 2013-07-17 CN disclosed
US-20120269769-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120269769-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120269769-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120034187-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-20120034187-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-20120034187-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8067438-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-8067438-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-8067438-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-20070243166-A1 Hepatitis C Inhibitor Compounds LLINAS-BRUNET MONTSE 2007-10-18 US disclosed
EP-1673385-A4 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INT (DE) 2006-10-04 EP disclosed
EP-1673385-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS Boehringer Ingelheim International GmbH (DE) 2006-06-28 EP disclosed
CN-1791599-A Hepatitis c inhibitor compounds BOEHRINGER INGELHEIM INT (DE) 2006-06-21 CN disclosed
EP-1654261-A1 HEPATITIS C INHIBITOR COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2006-05-10 EP disclosed
WO-2005028501-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-31 WO disclosed
WO-2005028501-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-31 WO disclosed
US-20050020503-A1 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-27 US disclosed
WO-2004103996-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 WO disclosed
WO-2004103996-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 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 (4 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-20120269769-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC GRM2 4857/4885LCK 4696/4885PDE4D 4640/4885
US-20070243166-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC GRM2 4857/4885LCK 4696/4885PDE4D 4640/4885
US-20120034187-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC GRM2 4857/4885LCK 4696/4885PDE4D 4640/4885
US-20050020503-A1 Hepatitis C inhibitor compounds HAVCR2, CTRL, CTRC GRM2 4857/4885LCK 4696/4885PDE4D 4640/4885

“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.