SCHEMBL4658251

SCHEMBL4658251

COc1cccc(/C=C/c2cc(N3CCC(N)CC3)nc3sc(C(N)=O)c(N)c23)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.56
CHUK O15111 2/20 0.56
EPHA3 P29320 2/20 0.56
NTRK1 P04629 1/20 0.47
BRAF P15056 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
GAK O14976 1/20 0.45
ICAM1 P05362 1/20 0.45
DRD2 P14416 1/20 0.45
NFKBIA P25963 1/20 0.45
DRD3 P35462 1/20 0.45
ABAT P80404 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
IRAK3 Q9Y616 1/20 0.45

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
SCHEMBL4658255 1.00 IKBKB (0.56) IKBKBCHUKEPHA3NTRK1BRAF
SCHEMBL4658292 0.91 IKBKB (0.58) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4658296 0.91 IKBKB (0.58) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4657803 0.90 IKBKB (0.57) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4657798 0.90 IKBKB (0.57) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4657859 0.89 IKBKB (0.59) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4657865 0.89 IKBKB (0.59) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4657847 0.88 IKBKB (0.55) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4657849 0.88 IKBKB (0.55) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4657014 0.85 IKBKB (0.60) IKBKBCHUKEPHA3NTRK1GAK

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-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 claimed
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
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-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-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

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-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 IKBKB 3/4885CHUK 2/4885EPHA3 4318/4885
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 IKBKB 2/4885CHUK 3/4885EPHA3 4274/4885

“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.