SCHEMBL4918256

SCHEMBL4918256

COC(=O)c1ccc(C(=O)CNC(=O)OC(C)(C)C)nc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 1/20 0.39
TRPA1 O75762 1/20 0.39
NAMPT P43490 1/20 0.38
GAA P10253 1/20 0.38
ATR Q13535 1/20 0.38
BRD4 O60885 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGDS O60760 1/20 0.36

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
SCHEMBL12158839 0.82 KDM4E (0.44) KDM4EL3MBTL1SMN1; SMN2TRPA1ALDH1A1
SCHEMBL10252702 0.82 TRPA1 (0.40) L3MBTL1TRPA1NAMPT
SCHEMBL24298143 0.82 GABRA1 (0.41) L3MBTL1SMN1; SMN2TRPA1NAMPT
SCHEMBL2679707 0.81 MAPK1 (0.75) MAPK1KDM4EL3MBTL1GPR119ATR
SCHEMBL30457965 0.81 MAPK1 (0.75) MAPK1KDM4EL3MBTL1GPR119ATR
SCHEMBL5232670 0.79 MAPK1 (0.48) MAPK1KDM4EL3MBTL1SMN1; SMN2NAMPT
SCHEMBL16552491 0.79 MAPK1 (0.55) MAPK1KDM4EL3MBTL1GPR119NAMPT
SCHEMBL30182625 0.78 NAMPT (0.58) MAPK1KDM4EL3MBTL1NAMPTGAA
SCHEMBL24891767 0.78 NAMPT (0.58) MAPK1KDM4EL3MBTL1NAMPTGAA
SCHEMBL27476383 0.78 MAPK1 (0.75) MAPK1KDM4EL3MBTL1GPR119TRPA1

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
US-20080312185-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES CHEN ZHIDONG 2008-12-18 US disclosed
US-20080312185-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES CHEN ZHIDONG 2008-12-18 US disclosed
US-20080312185-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES CHEN ZHIDONG 2008-12-18 US disclosed
US-20060270671-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) 2006-11-30 US disclosed
US-7119102-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) 2006-10-10 US disclosed
EP-1692141-A1 SUBSTITUTED 3-AMINO-THIENO¬2,3-B| PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AS IKK INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-08-23 EP disclosed
US-20050182053-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) 2005-08-18 US disclosed
WO-2005056562-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-B] PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AS IKK INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-23 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-20050182053-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, IKBKG, IKBKE MAPK1 321/4885KDM4E 749/4885L3MBTL1 2703/4885
US-20060270671-A1 Substituted 3-amino-thieno[2,3-b] pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses CPS1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TK2 MAPK1 3534/4885KDM4E 1253/4885L3MBTL1 2393/4885
US-20080312185-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES CPS1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TK2 MAPK1 3534/4885KDM4E 1253/4885L3MBTL1 2393/4885

“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.