SCHEMBL5417545

SCHEMBL5417545

COc1ccc(CNc2nc(CNC3CCCCC3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDE5A O76074 3/20 0.42
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
KCNH2 Q12809 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
GAA P10253 2/20 0.40
PTGS2 P35354 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL5408026 0.87 MAPT (0.51) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL5410532 0.84 MAPT (0.46) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7404512 0.84 MAPT (0.53) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6711489 0.83 SMN1; SMN2 (0.49) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6706633 0.83 MAPT (0.47) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL5402116 0.83 MAPT (0.47) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL5407504 0.83 MAPT (0.47) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL5249025 0.82 MAPT (0.46) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL5412985 0.82 PDE5A (0.49) MAPTKMT2AHTTSMN1; SMN2PDE5A
Bicarbonate SCHEMBL7018838 0.82 MAPT (0.44) MAPTMEN1KMT2AHTTSMN1; 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 10 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
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 MAPT 4740/4885MEN1 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.