SCHEMBL4658096

SCHEMBL4658096

CN(Cc1ccccc1)c1ccnc2sc(C(N)=O)c(N)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 6/20 0.68
ALDH1A1 P00352 5/20 0.68
CDK19 Q9BWU1 4/20 0.68
HTT P42858 3/20 0.68
KDM4E B2RXH2 2/20 0.68
LMNA P02545 2/20 0.62
HPGD P15428 2/20 0.62
ALOX15 P16050 2/20 0.62
TSHR P16473 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
STAT1 P42224 1/20 0.58
LIMK1 P53667 3/20 0.55
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
IKBKB O14920 8/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL14110701 0.91 ALDH1A1 (0.62) CDK8ALDH1A1CDK19HTTKDM4E
SCHEMBL4657841 0.89 CDK8 (0.65) CDK8ALDH1A1CDK19HTTKDM4E
SCHEMBL4657890 0.84 CDK8 (0.76) CDK8ALDH1A1CDK19HTTKDM4E
SCHEMBL4657938 0.83 CDK8 (0.63) CDK8ALDH1A1CDK19HTTKDM4E
SCHEMBL4657854 0.82 CDK8 (0.73) CDK8ALDH1A1CDK19HTTKDM4E
SCHEMBL426655 0.81 CDK8 (1.00) CDK8ALDH1A1CDK19HTTKDM4E
SCHEMBL4656527 0.81 ALDH1A1 (0.64) CDK8ALDH1A1CDK19HTTKDM4E
SCHEMBL4659275 0.81 CDK8 (0.70) CDK8ALDH1A1CDK19HTTKDM4E
SCHEMBL14110799 0.80 ALDH1A1 (0.60) CDK8ALDH1A1CDK19HTTKDM4E
SCHEMBL5229346 0.78 CDK8 (0.74) CDK8ALDH1A1CDK19HTTKDM4E

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
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-20040180922-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) 2004-09-16 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 (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-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 175/4885ALDH1A1 2562/4885CDK19 165/4885
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 64/4885ALDH1A1 2206/4885CDK19 70/4885
US-20040180922-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 175/4885ALDH1A1 2562/4885CDK19 165/4885

“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.