SCHEMBL5439736

SCHEMBL5439736

Cc1cc(C(=O)N2CCOCC2)cc2c(Nc3ccc4cnn(C)c4c3)c(C(N)=O)cnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.51
JAK2 O60674 1/20 0.49
CSF1R P07333 1/20 0.47
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
SYK P43405 3/20 0.43
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CAMK1D Q8IU85 3/20 0.40
RORC P51449 1/20 0.39
RAD52 P43351 1/20 0.39
UHRF1 Q96T88 1/20 0.39
LMNA P02545 1/20 0.39
MC4R P32245 1/20 0.39
HTT P42858 1/20 0.39
CLK1 P49759 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL4625934 0.84 PDE4B (0.52) PDE4BJAK2CSF1RGAAMAPT
SCHEMBL5399192 0.81 PDE4B (0.64) PDE4BCSF1RGAAMAPT
SCHEMBL4627471 0.80 PDE4B (0.47) PDE4BJAK2CSF1RGAAMAPT
SCHEMBL1275591 0.79 PDE4B (0.63) PDE4BCSF1RSYK
SCHEMBL1275327 0.76 PDE4B (0.66) PDE4BCSF1RSYK
SCHEMBL2481386 0.76 PDE4B (0.59) PDE4BCSF1RSYK
SCHEMBL5457430 0.75 PDE4B (0.55) PDE4BCSF1RGAAMAPTMAPK1
SCHEMBL4951698 0.74 PDE4B (0.46) PDE4BCSF1RSYK
SCHEMBL2479181 0.74 PDE4B (0.71) PDE4BCSF1R
SCHEMBL4262739 0.73 PDE4B (0.59) PDE4BCSF1R

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 7 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
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

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 1/4885JAK2 1072/4885CSF1R 3981/4885

“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.