SCHEMBL5408026

SCHEMBL5408026

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
HTT P42858 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BCDIN3D Q7Z5W3 2/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
KCNH2 Q12809 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43

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
SCHEMBL7404512 0.89 MAPT (0.53) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL6711489 0.88 SMN1; SMN2 (0.49) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL6706633 0.88 MAPT (0.47) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL7198212 0.88 KDM4E (0.51) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5410532 0.88 MAPT (0.46) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5249025 0.88 MAPT (0.46) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5249043 0.87 MAPT (0.46) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5417545 0.87 MAPT (0.46) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5251577 0.87 MAPT (0.46) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5247813 0.87 MAPT (0.46) MAPTHTTMEN1KMT2ASMN1; 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 5 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 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 4740/4885HTT 4622/4885MEN1 4344/4885

“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.