SCHEMBL5407863

SCHEMBL5407863

COc1ccc(CNc2nc(CN3CCN(C(=O)c4ccc(C#N)cc4)CC3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE5A O76074 13/20 0.44
PDE6D O43924 1/20 0.44
PDE6A P16499 1/20 0.44
PDE6G P18545 1/20 0.44
PDE6B P35913 1/20 0.44
PDE6C P51160 1/20 0.44
PDE6H Q13956 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GPR55 Q9Y2T6 1/20 0.42
HSD17B10 Q99714 1/20 0.41
LMNA P02545 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
SCHEMBL5408430 0.88 ALDH1A1 (0.47) MEN1KMT2APDE5APDE6DPDE6A
SCHEMBL5404997 0.87 LMNA (0.48) PDE5APDE6CKDM4EALDH1A1HSD17B10
SCHEMBL5408518 0.87 GPR55 (0.48) MEN1KMT2AKDM4EALDH1A1GPR55
SCHEMBL5409979 0.85 ALDH1A1 (0.45) MEN1KMT2AKDM4EALDH1A1GPR55
SCHEMBL5419673 0.83 ALDH1A1 (0.49) MEN1KMT2APDE5AKDM4EALDH1A1
SCHEMBL5415620 0.82 LMNA (0.49) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL5412985 0.82 PDE5A (0.49) KMT2APDE5AKDM4EALDH1A1HSD17B10
SCHEMBL5413011 0.81 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL5405163 0.79 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL5402226 0.79 SMN1; SMN2 (0.54) MEN1KMT2AKDM4EALDH1A1HSD17B10

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
EP-1294729-B1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GMBH (DE) 2004-09-15 EP 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 F10 2950/4885MEN1 4344/4885KMT2A 2218/4885

“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.