SCHEMBL4914761

SCHEMBL4914761

CC(C)c1cc(=O)[nH]c(SCC(N)=O)c1C#N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.72
▸ ALDH1A1 P00352 10/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ HPGD P15428 3/20 0.51
▸ TDP1 Q9NUW8 1/20 0.49
▸ HTT P42858 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ ALOX15 P16050 1/20 0.47
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ POLB P06746 2/20 0.44
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL20339858 0.88 KDM4E (0.62) TSHRALDH1A1KMT2AHPGDTDP1
SCHEMBL14110759 0.84 TSHR (1.00) TSHRALDH1A1KMT2AHPGDTDP1
SCHEMBL4920327 0.81 TSHR (0.74) TSHRALDH1A1KMT2AHPGDTDP1
SCHEMBL14110743 0.79 TSHR (0.70) TSHRALDH1A1KMT2AHPGDTDP1
SCHEMBL23183409 0.78 ALDH1A1 (0.41) TSHRALDH1A1KMT2AHPGDTDP1
SCHEMBL4914260 0.76 TSHR (0.67) TSHRALDH1A1KMT2AHPGDTDP1
SCHEMBL20350854 0.75 KDM4E (0.65) TSHRALDH1A1KMT2AHPGDTDP1
SCHEMBL23183510 0.73 TSHR (0.80) TSHRALDH1A1KMT2AHPGDTDP1
SCHEMBL26404201 0.70 TSHR (0.74) TSHRALDH1A1KMT2AHPGDTDP1
SCHEMBL20340043 0.69 KDM4E (0.64) TSHRALDH1A1KMT2AHPGDTDP1

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 TSHR 1427/4885ALDH1A1 3655/4885KMT2A 786/4885
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 TSHR 220/4885ALDH1A1 371/4885KMT2A 422/4885
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 TSHR 220/4885ALDH1A1 371/4885KMT2A 422/4885

“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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