SCHEMBL4920538

SCHEMBL4920538

CC(C)(C)OC(=O)N1CCC(NCC(O)COc2ccncc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.48
GPR119 Q8TDV5 4/20 0.47
USP30 Q70CQ3 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
STS P08842 1/20 0.43

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
SCHEMBL4894557 0.90 MEN1 (0.58) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL4894572 0.90 MEN1 (0.58) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL4656378 0.86 GPR119 (0.52) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL8265435 0.84 ADRB1 (0.53) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL4901318 0.84 ADRB1 (0.53) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL8183056 0.82 CYP3A4 (0.56) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL8191425 0.82 HRH1 (0.59) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL13398116 0.80 USP30 (0.53) ALDH1A1MAPTHTTMAPK1KDM4E
SCHEMBL8182207 0.80 ADRB2 (0.52) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL4573880 0.80 ADRB2 (0.52) ALDH1A1MAPTHTTMEN1KMT2A

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 ALDH1A1 3655/4885MAPT 4090/4885HTT 4794/4885
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 ALDH1A1 371/4885MAPT 4155/4885HTT 4531/4885
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 ALDH1A1 371/4885MAPT 4155/4885HTT 4531/4885

“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.