SCHEMBL8139676

SCHEMBL8139676

CCOc1cc(OC)c2sccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.38
▸ PDE4B Q07343 3/20 0.38
▸ PDE4C Q08493 3/20 0.38
▸ PDE4D Q08499 3/20 0.38
▸ PDE3B Q13370 3/20 0.38
▸ PDE3A Q14432 3/20 0.38
▸ ADORA2A P29274 3/20 0.38
▸ ADORA1 P30542 3/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL13757952 0.84 ADORA2A (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8247673 0.81 ADORA2A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8274167 0.80 ADORA2A (0.41) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL2973054 0.80 ADORA2A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13409402 0.79 ADORA2A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8139669 0.76 USP2 (0.36) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL2669745 0.75 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8189640 0.74 PDGFRB (0.43) ADORA2AADORA1PDGFRBPDGFRAMAPT
SCHEMBL10297719 0.72 HTT (0.46) ADORA2AADORA1PDGFRBPDGFRAMAPT
SCHEMBL8298164 0.72 PDGFRB (0.42) ADORA2AADORA1PDGFRBPDGFRAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 — — US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 — — US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 — — US disclosed
EP-1771454-B1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INT (DE) 2011-06-15 — — EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 — — US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 — — US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 — — WO disclosed
WO-2005070955-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 — — 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 PDE4A 3099/4885PDE4B 3270/4885PDE4C 3074/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PDE4A 3099/4885PDE4B 3270/4885PDE4C 3074/4885

“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.

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