SCHEMBL5412985

SCHEMBL5412985

COc1ccc(CNc2nc(CN3CCC(O)CC3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE2A O00408 2/20 0.44
ENPP2 Q13822 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL5404955 0.92 PDE5A (0.46) PDE5AALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL5405163 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AHSD17B10LMNA
SCHEMBL5419673 0.89 ALDH1A1 (0.49) PDE5AALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL5408430 0.88 ALDH1A1 (0.47) PDE5AALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL5413011 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AHSD17B10LMNA
SCHEMBL5415620 0.86 LMNA (0.49) ALDH1A1KDM4EKMT2AHSD17B10LMNA
SCHEMBL5413503 0.85 PDE5A (0.48) PDE5AKMT2AMAPTHTTSMN1; SMN2
SCHEMBL5409979 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AHSD17B10LMNA
SCHEMBL5408026 0.84 MAPT (0.51) PDE5AALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL7016071 0.84 SMN1; SMN2 (0.42) PDE5AALDH1A1KDM4EKMT2AHSD17B10

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 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
EP-1294729-A1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GmbH (DE) 2003-03-26 EP disclosed
WO-2002000664-A1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GMBH (DE) 2002-01-03 WO 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.