SCHEMBL561469

SCHEMBL561469

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.45
NQO2 P16083 3/20 0.42
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
MAPT P10636 2/20 0.40
LCK P06239 1/20 0.40
MAPK1 P28482 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
KCNMA1 Q12791 1/20 0.39
NOTUM Q6P988 1/20 0.38
PIM1 P11309 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL693150 0.88 GPR35 (0.50) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL1166903 0.86 PDE4D (0.45) PDE4DNQO2PDE4APDE4BPDE4C
SCHEMBL10082469 0.85 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL561626 0.85 GPR35 (0.47) PDE4DMAPTLCKMAPK1MRGPRX4
SCHEMBL10136815 0.85 NQO2 (0.43) PDE4DNQO2MAPTLCKMAPK1
SCHEMBL1166603 0.84 KDM4A (0.43) PDE4DNQO2PDE4APDE4BPDE4C
SCHEMBL13074496 0.84 PDE4D (0.42) PDE4DNQO2MAPTLCKMAPK1
SCHEMBL562408 0.84 GRM2 (0.41) PDE4DNQO2MAPTLCKMAPK1
SCHEMBL12809264 0.84 LCK (0.40) PDE4DNQO2MAPTLCKMAPK1
SCHEMBL10082467 0.84 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709613-B2 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2020-08-12 EP disclosed
EP-2709613-B2 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2020-08-12 EP disclosed
US-10456414-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2019-10-29 US disclosed
US-10456414-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2019-10-29 US disclosed
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 EP disclosed
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 EP disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20170042961-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC 2017-02-16 US disclosed
US-20170042961-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC 2017-02-16 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
US-20050080005-A1 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-14 US 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 (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-10456414-B2 Methods for treating HCV HAVCR2, HCCS, LIPC PDE4D 1418/4885NQO2 909/4885PDE4A 872/4885
US-20170189439-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC PDE4D 1418/4885NQO2 909/4885PDE4A 872/4885
US-20050020503-A1 Hepatitis C inhibitor compounds HAVCR2, CTRL, CTRC PDE4D 4640/4885NQO2 950/4885PDE4A 4031/4885
US-20170042961-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC PDE4D 1418/4885NQO2 909/4885PDE4A 872/4885
US-20050080005-A1 Macrocyclic peptides active against the hepatitis C virus CTRL, RPP30, RNASE1 PDE4D 3339/4885NQO2 3233/4885PDE4A 3664/4885

“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.