SCHEMBL5409979

SCHEMBL5409979

COc1ccc(CNc2nc(CN3CCN(C(=O)C(F)(F)F)CC3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 6/20 0.43
GAA P10253 2/20 0.43
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
POLB P06746 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
SCHEMBL5408430 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5419673 0.87 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5415620 0.85 LMNA (0.49) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5412985 0.85 PDE5A (0.49) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5407863 0.85 F10 (0.44) ALDH1A1KDM4EHSD17B10LMNAGPR55
SCHEMBL5413011 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5408518 0.84 GPR55 (0.48) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5405163 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5402226 0.82 SMN1; SMN2 (0.54) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5404955 0.82 PDE5A (0.46) ALDH1A1KDM4EHSD17B10LMNAMAPT

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 ALDH1A1 125/4885KDM4E 2242/4885HSD17B10 1677/4885

“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.