SCHEMBL4193500

SCHEMBL4193500

CC(C)(F)c1cc(Cl)nc(Cl)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.36
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 8/20 0.33
GAA P10253 4/20 0.33
HPGD P15428 3/20 0.33
GLA P06280 3/20 0.33
TDP1 Q9NUW8 4/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 2/20 0.31
AR P10275 1/20 0.31
NSD2 O96028 1/20 0.31
KHK P50053 1/20 0.31

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
SCHEMBL29409508 0.86 KDM4E (0.40) L3MBTL1ALDH1A1KDM4EGAAHPGD
SCHEMBL1624009 0.86 KDM4E (0.40) L3MBTL1ALDH1A1KDM4EGAAHPGD
SCHEMBL4191395 0.82 GLA (0.35) L3MBTL1ALDH1A1KDM4EGAAHPGD
SCHEMBL13111414 0.73 KDM4E (0.44) L3MBTL1ALDH1A1KDM4EGAAHPGD
SCHEMBL29659097 0.72 L3MBTL1 (0.54) L3MBTL1ALDH1A1KDM4EGAAHPGD
SCHEMBL22980966 0.72 KHK (0.34) L3MBTL1ALDH1A1KDM4EGLAMAPK1
SCHEMBL14967240 0.72 L3MBTL1 (0.54) L3MBTL1ALDH1A1KDM4EGAAHPGD
SCHEMBL29496331 0.72 L3MBTL1 (0.57) L3MBTL1ALDH1A1KDM4EGAAHPGD
SCHEMBL7600961 0.72 TRPV4 (0.43) L3MBTL1ALDH1A1KDM4EGAAHPGD
SCHEMBL534956 0.72 L3MBTL1 (0.57) L3MBTL1ALDH1A1KDM4EGAAHPGD

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-7592353-B2 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592353-B2 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592353-B2 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-2029608-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-B] PYRIDINE-2-CARBOXAMIDE COMPOUNDS, THEIR PREPARATION AND USE Boehringer Ingelheim International GmbH (DE) 2009-03-04 EP disclosed
WO-2007146602-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-B] PYRIDINE-2-CARBOXAMIDE COMPOUNDS, THEIR PREPARATION AND USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO disclosed
WO-2007146602-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-B] PYRIDINE-2-CARBOXAMIDE COMPOUNDS, THEIR PREPARATION AND USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO disclosed
US-20070293533-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US disclosed
US-20070293533-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US disclosed
US-20070293533-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 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 (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-20070293533-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES NFKBIA, CHUK, IKBKB L3MBTL1 3201/4885ALDH1A1 2547/4885KDM4E 694/4885

“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.