SCHEMBL4700360

SCHEMBL4700360

Cc1ccc(S(=O)(=O)O)cc1.NCCCCN1CCCC1

nearest known ligand 0.57

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
MBTD1 Q05BQ5 1/20 0.57
HRH1 P35367 1/20 0.50
HRH3 Q9Y5N1 7/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
RECQL P46063 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNH2 Q12809 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL28993859 0.85 L3MBTL1 (0.59) L3MBTL1MBTD1HRH1HRH3ALDH1A1
Putrescine SCHEMBL10842435 0.84 CYP2C9 (0.49) L3MBTL1ALDH1A1TSHRGAAMEN1
SCHEMBL4700355 0.84 L3MBTL1 (0.56) L3MBTL1MBTD1HRH1HRH3ALDH1A1
SCHEMBL9442684 0.84 L3MBTL1 (0.58) L3MBTL1MBTD1HRH1HRH3ALDH1A1
SCHEMBL8618885 0.83 KDM4E (0.49) L3MBTL1MBTD1ALDH1A1GAAHTR1A
SCHEMBL8981419 0.83 CYP2C9 (0.48) L3MBTL1ALDH1A1TSHRGAAMEN1
SCHEMBL11546476 0.81 CYP2C9 (0.49) L3MBTL1ALDH1A1TSHRGAAMEN1
SCHEMBL29128941 0.81 L3MBTL1 (0.54) L3MBTL1MBTD1HRH1HRH3ALDH1A1
SCHEMBL4710736 0.80 HRH3 (0.46) L3MBTL1MBTD1HRH3KCNH2CYP2D6
SCHEMBL27927799 0.79 MCHR1 (0.46) L3MBTL1ALDH1A1TSHRGAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 EP claimed
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 EP disclosed
EP-1926737-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007031428-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BARTKOVITZ DAVID J 2007-03-15 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-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BRAF, RAF1, MAP3K7 L3MBTL1 4160/4885MBTD1 4420/4885HRH1 1705/4885

“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.