SCHEMBL5404955

SCHEMBL5404955

COc1ccc(CNc2nc(CN3CCCC(O)C3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.40

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
SCHEMBL5412985 0.92 PDE5A (0.49) PDE5AALDH1A1KDM4ELMNAMAPT
SCHEMBL5405163 0.86 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL5419673 0.85 ALDH1A1 (0.49) PDE5AALDH1A1KDM4ELMNAMAPT
SCHEMBL5408430 0.84 ALDH1A1 (0.47) PDE5AALDH1A1KDM4ELMNAMAPT
SCHEMBL5413011 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL5415620 0.83 LMNA (0.49) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL5408026 0.82 MAPT (0.51) PDE5AALDH1A1KDM4ELMNAMAPT
SCHEMBL5409979 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL5417545 0.80 MAPT (0.46) PDE5AALDH1A1KDM4ELMNAMAPT
SCHEMBL5413503 0.80 PDE5A (0.48) PDE5AMAPTHTTSMN1; SMN2KMT2A

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 PDE5A 6/4885ALDH1A1 125/4885KDM4E 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.