SCHEMBL5402226

SCHEMBL5402226

COc1ccc(CNc2nc(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
HTT P42858 5/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 6/20 0.49
MAPT P10636 5/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
STAT3 P40763 1/20 0.46

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
SCHEMBL5404997 0.92 LMNA (0.48) SMN1; SMN2HTTHPGDLMNAHSD17B10
SCHEMBL5415620 0.91 LMNA (0.49) SMN1; SMN2HTTHPGDLMNAHSD17B10
SCHEMBL5408430 0.85 ALDH1A1 (0.47) SMN1; SMN2HTTLMNAHSD17B10ALDH1A1
SCHEMBL5419673 0.85 ALDH1A1 (0.49) SMN1; SMN2HTTLMNAHSD17B10ALDH1A1
SCHEMBL5412985 0.83 PDE5A (0.49) SMN1; SMN2HTTLMNAHSD17B10ALDH1A1
SCHEMBL5409979 0.82 ALDH1A1 (0.45) SMN1; SMN2HTTLMNAHSD17B10ALDH1A1
SCHEMBL7016903 0.82 HTT (0.38) SMN1; SMN2HTTHPGDLMNAHSD17B10
SCHEMBL5413011 0.82 ALDH1A1 (0.46) SMN1; SMN2HTTLMNAHSD17B10ALDH1A1
SCHEMBL5405163 0.82 ALDH1A1 (0.47) SMN1; SMN2HTTLMNAHSD17B10ALDH1A1
SCHEMBL5408026 0.80 MAPT (0.51) SMN1; SMN2HTTHPGDLMNAHSD17B10

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
US-7259168-B2 2-Aminoalkyl-thieno[2,3-d]pyrimidines MERCK PATENT GMBH (DE) 2007-08-21 US claimed
EP-1294729-B1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GMBH (DE) 2004-09-15 EP claimed
US-20040044011-A1 2-Aminoalkyl-thieno[2,3-d]pyrimidines MEREK PATENT GMBH (DE) 2004-03-04 US claimed
US-7259168-B2 2-Aminoalkyl-thieno[2,3-d]pyrimidines MERCK PATENT GMBH (DE) 2007-08-21 US disclosed
EP-1294729-B1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GMBH (DE) 2004-09-15 EP disclosed
US-20040044011-A1 2-Aminoalkyl-thieno[2,3-d]pyrimidines MEREK PATENT GMBH (DE) 2004-03-04 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-20040044011-A1 2-Aminoalkyl-thieno[2,3-d]pyrimidines DPYD, PDE3A, PDE2A SMN1; SMN2 2219/4885HTT 4622/4885HPGD 307/4885

“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.