SCHEMBL5404997

SCHEMBL5404997

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE5A O76074 9/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PDE6C P51160 1/20 0.41

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
SCHEMBL5402226 0.92 SMN1; SMN2 (0.54) LMNAHSD17B10KDM4EALDH1A1GAA
SCHEMBL5415620 0.88 LMNA (0.49) LMNAHSD17B10KDM4EALDH1A1GAA
SCHEMBL5407863 0.87 F10 (0.44) LMNAHSD17B10KDM4EALDH1A1PDE5A
SCHEMBL7016903 0.84 HTT (0.38) LMNAHSD17B10KDM4EALDH1A1GAA
SCHEMBL5408430 0.82 ALDH1A1 (0.47) LMNAHSD17B10KDM4EALDH1A1GAA
SCHEMBL5419673 0.82 ALDH1A1 (0.49) LMNAHSD17B10KDM4EALDH1A1GAA
SCHEMBL5412985 0.81 PDE5A (0.49) LMNAHSD17B10KDM4EALDH1A1GAA
SCHEMBL5409979 0.80 ALDH1A1 (0.45) LMNAHSD17B10KDM4EALDH1A1GAA
SCHEMBL5413011 0.80 ALDH1A1 (0.46) LMNAHSD17B10KDM4EALDH1A1GAA
SCHEMBL5405163 0.80 ALDH1A1 (0.47) LMNAHSD17B10KDM4EALDH1A1GAA

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-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
EP-1294729-A1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GmbH (DE) 2003-03-26 EP claimed
WO-2002000664-A1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GMBH (DE) 2002-01-03 WO 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 LMNA 3224/4885HSD17B10 1677/4885KDM4E 2242/4885

“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.