SCHEMBL5455186

SCHEMBL5455186

CCOC(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(OC)c3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.74
TP53 P04637 3/20 0.70
MAPT P10636 2/20 0.70
CREBBP Q92793 1/20 0.66
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
PKM P14618 1/20 0.65
PAX8 Q06710 1/20 0.58

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
SCHEMBL5325636 0.91 CREBBP (0.79) PDE4BTP53MAPTCREBBPKDM4E
SCHEMBL5457658 0.88 PDE4B (0.80) PDE4BCREBBPKDM4EALDH1A1PKM
SCHEMBL31307824 0.86 MAPT (0.85) PDE4BTP53MAPTCREBBPKDM4E
SCHEMBL23493909 0.86 MAPT (0.85) PDE4BTP53MAPTCREBBPKDM4E
SCHEMBL3782313 0.86 MAPT (0.75) PDE4BTP53MAPTCREBBPKDM4E
SCHEMBL2723613 0.85 CSF1R (0.63) PDE4BTP53MAPTCREBBPKDM4E
SCHEMBL5468878 0.84 PDE4B (0.75) PDE4BTP53MAPT
SCHEMBL31307791 0.83 TP53 (0.88) TP53MAPTCREBBPKDM4EALDH1A1
SCHEMBL23494146 0.83 TP53 (0.88) TP53MAPTCREBBPKDM4EALDH1A1
SCHEMBL8300370 0.82 PDE4B (0.77) PDE4BTP53MAPT

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 6 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 disclosed
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
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
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 disclosed
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 disclosed
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 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 1/4885TP53 4495/4885MAPT 3241/4885

“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.