SCHEMBL4659097

SCHEMBL4659097

NC(=O)c1sc2nccc(N3CCC(N4CCCCC4)CC3)c2c1N

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 14/20 0.79
CDK19 Q9BWU1 7/20 0.62
RIOK2 Q9BVS4 2/20 0.56
CSNK1A1 P48729 1/20 0.56
CSNK1D P48730 1/20 0.56
CSNK1E P49674 1/20 0.56
GSK3A P49840 1/20 0.56
HASPIN Q8TF76 1/20 0.56
LIMK1 P53667 1/20 0.50
IKBKB O14920 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL14110785 0.90 CDK8 (0.64) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL4656716 0.89 CDK8 (1.00) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL5234827 0.89 CDK8 (1.00) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL5236246 0.89 CDK8 (1.00) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL4657878 0.87 CDK8 (0.97) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL4657021 0.85 CDK8 (0.80) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL5231316 0.84 CDK8 (1.00) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL5233399 0.80 CDK8 (0.70) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL5233390 0.80 CDK8 (0.70) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL4657875 0.80 CDK8 (0.72) CDK8CDK19RIOK2CSNK1A1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2008654-A1 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amides Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-12-31 EP disclosed
EP-1513516-B1 SUBSTITUTED 3-AMINO-THIENO(2,3-b) PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM PHARMA (US) 2008-12-03 EP disclosed
EP-1513516-B1 SUBSTITUTED 3-AMINO-THIENO(2,3-b) PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM PHARMA (US) 2008-12-03 EP disclosed
US-7405225-B2 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20050288285-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-12-29 US disclosed
US-6974870-B2 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHAMACEUTICALS, INC. (US) 2005-12-13 US disclosed
US-6964956-B2 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-15 US disclosed
US-20040053957-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-18 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 (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-20040053957-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, IKBKB, CHUK CDK8 175/4885CDK19 165/4885RIOK2 767/4885
US-20050288285-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, CHUK, IKBKB CDK8 64/4885CDK19 70/4885RIOK2 803/4885

“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.