SCHEMBL4658973

SCHEMBL4658973

Cc1cc(/C=C/c2ccc(F)cc2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.57
LIMK1 P53667 2/20 0.57
CHUK O15111 1/20 0.57
PRKACA P17612 1/20 0.57
PRKACG P22612 1/20 0.57
PRKACB P22694 1/20 0.57
BTK Q06187 1/20 0.57
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CDK8 P49336 1/20 0.50
CDK19 Q9BWU1 1/20 0.50
CHRM4 P08173 2/20 0.49

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
SCHEMBL4658977 1.00 IKBKB (0.57) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL4656407 0.90 IKBKB (0.67) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL4656402 0.90 IKBKB (0.67) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL4659273 0.89 IKBKB (0.64) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL4659270 0.89 IKBKB (0.64) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL4658202 0.80 IKBKB (0.70) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL4657534 0.78 IKBKB (0.58) IKBKBCHUK
SCHEMBL4657540 0.78 IKBKB (0.58) IKBKBCHUK
SCHEMBL4481991 0.74 IKBKB (1.00) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL4195791 0.73 IKBKB (0.76) IKBKBLIMK1CHUKPRKACAPRKACG

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 11 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
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
CN-100386329-C Substituted 3-amino-thieno(2,3-b)pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMA (US) 2008-05-07 CN 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
EP-1513516-A1 SUBSTITUTED 3-AMINO-THIENO(2,3-b) PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS ANDPROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-03-16 EP 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
WO-2003103661-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) 2003-12-18 WO 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 IKBKB 2/4885LIMK1 1838/4885CHUK 3/4885
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 IKBKB 3/4885LIMK1 2399/4885CHUK 2/4885
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 2/4885LIMK1 1838/4885CHUK 3/4885

“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.