SCHEMBL5413503

SCHEMBL5413503

COc1ccc(CNc2nc(C(N3CCC(O)CC3)N3CCC(O)CC3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.48
PDE2A O00408 2/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL5412985 0.85 PDE5A (0.49) PDE5APDE2AMAPTHTTKMT2A
SCHEMBL5254027 0.82 MAPT (0.46) PDE5AMEN1MAPTHTTKMT2A
SCHEMBL5412846 0.81 MAPT (0.45) PDE5AMEN1MAPTHTTKMT2A
SCHEMBL7404512 0.81 MAPT (0.53) PDE5AMEN1MAPTHTTKMT2A
SCHEMBL5404955 0.80 PDE5A (0.46) PDE5AMEN1MAPTHTTKMT2A
SCHEMBL6213742 0.80 MAPT (0.44) PDE5AMEN1MAPTHTTKMT2A
SCHEMBL5417545 0.79 MAPT (0.46) PDE5AMEN1MAPTHTTKMT2A
SCHEMBL5408026 0.78 MAPT (0.51) PDE5AMEN1MAPTHTTKMT2A
SCHEMBL8177973 0.78 PDE5A (0.51) PDE5A
SCHEMBL7171537 0.78 MAPT (0.50) PDE5AMEN1MAPTHTTKMT2A

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
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

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 6/4885PDE2A 3/4885MEN1 4344/4885

“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.