SCHEMBL4657781

SCHEMBL4657781

CC(C)(C)[Si](C)(C)OCCCc1cc(=O)[nH]c(SCC(N)=O)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ HPGD P15428 4/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 10/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPT P10636 5/20 0.40
▸ HSD17B10 Q99714 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ MEN1 O00255 5/20 0.38
▸ GAA P10253 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ PKM P14618 1/20 0.36
▸ DUT P33316 1/20 0.35

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
SCHEMBL14110743 0.79 TSHR (0.70) TSHRHPGDTDP1ALDH1A1KMT2A
SCHEMBL6386213 0.78 DUT (0.41) HPGDTDP1ALDH1A1KDM4EHSD17B10
SCHEMBL14110865 0.75 ALDH1A1 (0.38) TSHRHPGDALDH1A1KMT2AKDM4E
SCHEMBL14110759 0.73 TSHR (1.00) TSHRHPGDTDP1ALDH1A1KMT2A
Morpholine SCHEMBL4658247 0.71 KDM4E (0.37) TDP1KDM4EDUT
SCHEMBL4920327 0.70 TSHR (0.74) TSHRHPGDTDP1ALDH1A1KMT2A
SCHEMBL4914761 0.69 TSHR (0.72) TSHRHPGDTDP1ALDH1A1KMT2A
SCHEMBL4914260 0.66 TSHR (0.67) TSHRHPGDTDP1ALDH1A1KMT2A
SCHEMBL20340192 0.66 KDM4E (0.59) TSHRHPGDTDP1ALDH1A1KMT2A
SCHEMBL7576196 0.65 DUT (0.38) DUT

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
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
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 TSHR 2384/4885HPGD 2119/4885TDP1 1133/4885
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 TSHR 1842/4885HPGD 1492/4885TDP1 1292/4885
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 TSHR 2384/4885HPGD 2119/4885TDP1 1133/4885

“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.

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