SCHEMBL2861698

SCHEMBL2861698

NCC(O)c1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
BLM P54132 5/20 0.38
TDP1 Q9NUW8 4/20 0.38
TAAR1 Q96RJ0 3/20 0.38
APEX1 P27695 3/20 0.38
MAPT P10636 3/20 0.38
RECQL P46063 3/20 0.38
HPGD P15428 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADRA1A P35348 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRB3 P13945 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL10714528 0.81 KDM4E (0.39) KDM4EADORA3ADRA1ALMNAHSP90AA1
SCHEMBL25227677 0.79 KDM4E (0.38) KDM4EADORA3ADRA1ALMNAHSP90AA1
SCHEMBL7117628 0.79 KDM4E (0.38) KDM4EADORA3ADRA1ALMNAHSP90AA1
SCHEMBL1579715 0.79 KDM4E (0.42) KDM4EADORA3ADRA1ALMNAKMT2A
SCHEMBL6680046 0.79 KDM4E (0.38) KDM4EADORA3ADRA1ALMNAHSP90AA1
SCHEMBL8508786 0.76 KDM4E (0.43) KDM4ELMNAALDH1A1SMN1; SMN2NFKB1
SCHEMBL7973738 0.76 KDM4E (0.40) KDM4EMAPTLMNAMAPK1HSP90AA1
SCHEMBL12955046 0.76
SCHEMBL4264233 0.75
SCHEMBL6278031 0.75 TSHR (0.41) KDM4ECYP3A4ALDH1A1SMN1; SMN2TSHR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
EP-2200612-B1 INHIBITORS OF JANUS KINASES SCHERING CORP (US) 2012-08-08 EP disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 US disclosed
EP-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO 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-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
WO-1999033851-A1 N-HET-SUBSTITUTED GLYCEROPHOSPHOETHANOLAMINES CLARION PHARMACEUTICALS, INC. (US) 1999-07-08 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 (4 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 KDM4E 749/4885BLM 3366/4885TDP1 1846/4885
US-20100197634-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 KDM4E 653/4885BLM 4457/4885TDP1 1401/4885
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 KDM4E 1253/4885BLM 3683/4885TDP1 2243/4885
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 KDM4E 1253/4885BLM 3683/4885TDP1 2243/4885

“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.