SCHEMBL2999358

SCHEMBL2999358

COC(=O)c1ccc2c(c1)c(CC#N)cn2C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
AKR1C3 P42330 4/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NR1H2 P55055 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
KDM4E B2RXH2 1/20 0.37
EPHX1 P07099 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDE10A Q9Y233 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL2724803 0.84 AKR1C3 (0.53) HTR6L3MBTL1AKR1C3KDM4EPDE10A
SCHEMBL15776173 0.83 HTR6 (0.51) HTR6L3MBTL1AKR1C3NR1H2EPHX1
SCHEMBL15776738 0.83 HTR6 (0.51) HTR6L3MBTL1AKR1C3NR1H2EPHX1
SCHEMBL29354113 0.83 HTR6 (0.51) HTR6L3MBTL1AKR1C3NR1H2EPHX1
SCHEMBL29353520 0.83 HTR6 (0.51) HTR6L3MBTL1AKR1C3NR1H2EPHX1
SCHEMBL14964104 0.82 HTR6 (0.50) HTR6L3MBTL1AKR1C3NR1H2EPHX1
SCHEMBL2993524 0.81 HTR6 (0.40) HTR6L3MBTL1HDAC1HDAC6KDM4E
SCHEMBL273000 0.80 L3MBTL1 (0.63) HTR6L3MBTL1NR1H2EPHX1MEN1
SCHEMBL13248555 0.80 MTNR1A (0.44) L3MBTL1KDM4E
SCHEMBL25272713 0.79 HTR6 (0.43) HTR6L3MBTL1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim International GmbH (DE) 2016-05-17 US disclosed
US-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim International GmbH (DE) 2016-05-17 US disclosed
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 US disclosed
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 US disclosed
WO-2013026162-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 WO disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US 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 (3 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 HTR6 4219/4885L3MBTL1 3819/4885AKR1C3 3013/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 HTR6 4219/4885L3MBTL1 3819/4885AKR1C3 3013/4885
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS HAVCR2, CD4, HAX1 HTR6 3755/4885L3MBTL1 2238/4885AKR1C3 60/4885

“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.