SCHEMBL3833093

SCHEMBL3833093

Nc1csc2[nH]c(=O)ccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.33
PDE3A Q14432 5/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PARP15 Q460N3 2/20 0.32
TNKS2 Q9H2K2 2/20 0.32
BRD4 O60885 2/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA1 P30542 1/20 0.32
PARP10 Q53GL7 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
FGFR1 P11362 2/20 0.30

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
SCHEMBL29163700 0.78 PDE3B (0.39) PDE3BPDE3AALDH1A1GAAPARP15
SCHEMBL25060133 0.65 PARP1 (0.38) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4419265 0.63 ALDH1A1 (0.30) ALDH1A1HPGDHSD17B10
SCHEMBL332886 0.61 TDP1 (0.50) PDE3BPDE3AALDH1A1KDM4EGLA
Hydrochloric Acid SCHEMBL6307454 0.60 TDP1 (0.49) PDE3BPDE3AALDH1A1KDM4EGLA
SCHEMBL1266347 0.60 DAO (0.46) PDE3BPDE3AALDH1A1PARP15TNKS2
SCHEMBL10648824 0.59 PDE3B (0.44) PDE3BPDE3AALDH1A1KDM4EGLA
SCHEMBL1261595 0.59 CA12 (0.47) PDE3BPDE3AALDH1A1KDM4EGLA
SCHEMBL19435596 0.59 PDE3B (0.49) PDE3BPDE3AALDH1A1KDM4EGLA
SCHEMBL6880879 0.59 KDM4E (0.54) PDE3BPDE3AALDH1A1KDM4EGLA

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-7482452-B2 Process for preparing 3-aminothienopyridone derivatives CELLTECH R&D LIMITED (GB) 2009-01-27 US disclosed
EP-1638980-B1 PROCESS FOR PREPARING 3-AMINOTHIENOPYRIDONE DERIVATIVES UCB PHARMA SA (BE) 2008-11-05 EP disclosed
US-20070191608-A1 Process for preparing 3-aminothienopyridone derivatives CELLTECH R&D LIMITED (GB) 2007-08-16 US disclosed
EP-1638980-A1 PROCESS FOR PREPARING 3-AMINOTHIENOPYRIDONE DERIVATIVES Celltech R & D Limited (GB) 2006-03-29 EP disclosed
WO-2004113349-A1 PROCESS FOR PREPARING 3-AMINOTHIENOPYRIDONE DERIVATIVES CELLTECH R & D LIMITED (GB) 2004-12-29 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-20070191608-A1 Process for preparing 3-aminothienopyridone derivatives MAPK3, MAP3K6, MAP4K1 PDE3B 1284/4885PDE3A 1250/4885ALDH1A1 1970/4885

“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.