SCHEMBL4723376

SCHEMBL4723376

CCCCN(CC)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
HTR7 P34969 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CRHR1 P34998 4/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
UTS2R Q9UKP6 1/20 0.33
FBP1 P09467 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
TLR8 Q9NR97 2/20 0.32
HDAC1 Q13547 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL4722034 0.93 SCN1A (0.42) SCN1ASCN2ASCN3AHTR7L3MBTL1
SCHEMBL4723360 0.89 SCN1A (0.40) SCN1ASCN2ASCN3AHTR7L3MBTL1
SCHEMBL4720415 0.89 SCN1A (0.42) SCN1ASCN2ASCN3AHTR7L3MBTL1
SCHEMBL4894844 0.87 SCN1A (0.41) SCN1ASCN2ASCN3AHTR7L3MBTL1
SCHEMBL4722623 0.85 SCN1A (0.43) SCN1ASCN2ASCN3AHTR7SMN1; SMN2
SCHEMBL2852646 0.82 SCN1A (0.40) SCN1ASCN2ASCN3AHTR7FBP1
SCHEMBL4724814 0.81 SCN1A (0.44) SCN1ASCN2ASCN3AHTR7L3MBTL1
SCHEMBL4724796 0.80 PPARG (0.40) SCN1ASCN2ASCN3AHTR7L3MBTL1
SCHEMBL14102679 0.79 SCN1A (0.45) SCN1ASCN2ASCN3AHTR7L3MBTL1
SCHEMBL30514164 0.75 SCN1A (0.38) SCN1ASCN2ASCN3AHTR7L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 SCN1A 3800/4885SCN2A 3740/4885SCN3A 3031/4885

“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.