SCHEMBL5413005

SCHEMBL5413005

COc1ccc(CNc2nc(CNCc3ccc4c(c3)OCO4)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
PDE5A O76074 6/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
PDE2A O00408 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
GHSR Q92847 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7015091 0.85 MAPT (0.45) MAPTALDH1A1MAPK1TDP1PDE5A
SCHEMBL5410532 0.85 MAPT (0.46) MAPTALDH1A1PDE5AKMT2AMEN1
SCHEMBL5408026 0.84 MAPT (0.51) MAPTALDH1A1MAPK1PDE5AKMT2A
SCHEMBL5408444 0.83 MEN1 (0.58) PDE5AKMT2AMEN1LMNA
SCHEMBL5407504 0.83 MAPT (0.47) MAPTALDH1A1PDE5AKMT2AMEN1
SCHEMBL5402116 0.83 MAPT (0.47) MAPTALDH1A1PDE5AKMT2AMEN1
SCHEMBL5408518 0.82 GPR55 (0.48) MAPTALDH1A1MAPK1TDP1KMT2A
SCHEMBL5409577 0.82 MAPT (0.44) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL5413420 0.82 MAPT (0.48) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL5412840 0.82 MAPT (0.46) MAPTALDH1A1PDE5AKMT2AMEN1

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 MAPT 4740/4885ALDH1A1 125/4885MAPK1 1123/4885

“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.