SCHEMBL5404071

SCHEMBL5404071

COc1cccc(Nc2c(C(N)=O)c(-c3ccc4ncsc4c3)nc3ccc(C(N)=O)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.49
CSNK2A1 P68400 2/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIK3CA P42336 1/20 0.40
TGFBR1 P36897 1/20 0.40

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
SCHEMBL5409568 0.88 PDE4B (0.54) PDE4BMAPTMEN1KMT2APIK3CA
SCHEMBL5404702 0.85 PDE4B (0.51) PDE4BALDH1A1MAPTMEN1NPC1
SCHEMBL5388728 0.82 PDE4B (0.47) PDE4BKDM4EPIK3CA
SCHEMBL5405242 0.82 NPC1 (0.48) PDE4BKDM4EALDH1A1LMNAMAPT
SCHEMBL5401535 0.82 PDE4B (0.48) PDE4BPIK3CA
SCHEMBL5404075 0.78 PDE4B (0.61) PDE4BMAPTMEN1NPC1RAB9A
SCHEMBL5398992 0.71 PDE4B (0.50) PDE4B
SCHEMBL5404688 0.71 PDE4B (0.47) PDE4BCSNK2A1MAPTPIK3CA
SCHEMBL13702096 0.70 NPC1 (0.77) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL5409576 0.70 PDE4B (0.72) PDE4BMAPT

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-20070191426-A1 Derivatives of 3-aminocarbonylquinoline, pharmaceutical compositions containing them and processes and intermediates for their preparation GLAXO GROUP LIMITED (GB) 2007-08-16 US claimed
JP-2007506717-A 2007-03-22 JP claimed
EP-1673345-A1 DERIVATIVES OF 3-AMINOCARBONYLQUINOLINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION GLAXO GROUP LIMITED (GB) 2006-06-28 EP claimed
WO-2005030725-A1 DERIVATIVES OF 3-AMINOCARBONYLQUINOLINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION GLAXO GROUP LIMITED (GB) 2005-04-07 WO claimed
US-20070191426-A1 Derivatives of 3-aminocarbonylquinoline, pharmaceutical compositions containing them and processes and intermediates for their preparation GLAXO GROUP LIMITED (GB) 2007-08-16 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-20070191426-A1 Derivatives of 3-aminocarbonylquinoline, pharmaceutical compositions containing them and processes and intermediates for their preparation PDE4B, PDE4A, PDE3B PDE4B 1/4885CSNK2A1 974/4885KDM4E 260/4885

“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.