SCHEMBL4710734

SCHEMBL4710734

CS(=O)(=O)O.NC(=O)CCCN1CCCC1

nearest known ligand 0.60

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 1/20 0.40
ADRA2A known ✓ P08913 1/20 0.40
ADRA2C known ✓ P18825 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 2/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
RAD52 P43351 1/20 0.40
LMNA P02545 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
BCHE P06276 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL3926676 0.88 L3MBTL1 (0.75) L3MBTL1SMN1; SMN2MAPK1CYP1A2MAPT
SCHEMBL493879 0.86 L3MBTL1 (0.79) L3MBTL1SMN1; SMN2MAPK1CYP1A2MAPT
Hydrochloric Acid SCHEMBL4710262 0.86 L3MBTL1 (0.72) L3MBTL1SMN1; SMN2MAPK1CYP1A2MAPT
Hydrochloric Acid SCHEMBL2710255 0.84 L3MBTL1 (0.76) L3MBTL1SMN1; SMN2MAPK1CYP1A2MAPT
SCHEMBL3321939 0.84 L3MBTL1 (0.68) L3MBTL1SMN1; SMN2MAPK1CYP1A2MAPT
SCHEMBL2877981 0.82 L3MBTL1 (0.72) L3MBTL1SMN1; SMN2MAPK1CYP1A2MAPT
SCHEMBL5507736 0.80 L3MBTL1 (0.69) L3MBTL1SMN1; SMN2MAPK1CYP1A2MAPT
SCHEMBL30701387 0.80 L3MBTL1 (0.69) L3MBTL1SMN1; SMN2MAPK1CYP1A2MAPT
SCHEMBL5500455 0.80 L3MBTL1 (0.69) L3MBTL1SMN1; SMN2MAPK1CYP1A2MAPT
SCHEMBL10624598 0.80 L3MBTL1 (0.69) L3MBTL1SMN1; SMN2MAPK1CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917015-A1 NOVEL 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP claimed
WO-2007019884-A1 NOVEL 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO claimed
US-20050256154-A1 4-Amino-thieno[3,2-c]pyridine-7-carboxylic acid amides LUK KIN-CHUN 2005-11-17 US claimed
EP-1917015-A1 NOVEL 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007019884-A1 NOVEL 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20050256154-A1 4-Amino-thieno[3,2-c]pyridine-7-carboxylic acid amides LUK KIN-CHUN 2005-11-17 US 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 (1 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-20050256154-A1 4-Amino-thieno[3,2-c]pyridine-7-carboxylic acid amides FGFR3, FGFR4, FGFR1 HTR1A 2177/4885ADRA2A 1197/4885ADRA2C 387/4885

“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.