SCHEMBL5408518

SCHEMBL5408518

COc1ccc(CNc2nc(CN3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 2/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 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
SCHEMBL5407863 0.87 F10 (0.44) GPR55ALDH1A1KMT2AMEN1KDM4E
SCHEMBL5408430 0.86 ALDH1A1 (0.47) GPR55ALDH1A1KMT2AMEN1HTT
SCHEMBL5409979 0.84 ALDH1A1 (0.45) GPR55ALDH1A1KMT2AMEN1HTT
SCHEMBL5419673 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL5413005 0.82 MAPT (0.51) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL5415620 0.81 LMNA (0.49) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL5412985 0.81 PDE5A (0.49) ALDH1A1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL5413011 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL6794752 0.79 SMN1; SMN2 (0.44) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL5405163 0.78 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1HTTSMN1; SMN2

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 GPR55 1291/4885CNR1 1559/4885CNR2 1130/4885

“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.