SCHEMBL4267964

SCHEMBL4267964

COc1cccc(Nc2c(C(N)=O)cnc3cc([S+]([O-])c4cccc(C(=O)N(C)C)c4)ccc23)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.71
CSF1R P07333 4/20 0.52
PDE4A P27815 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48

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
SCHEMBL2478444 0.88 PDE4B (0.69) PDE4BCSF1RPDE4APDE4CPDE4D
SCHEMBL8311476 0.88 PDE4B (0.61) PDE4BCSF1REGFRERBB2
SCHEMBL4271772 0.86 PDE4B (0.63) PDE4BCSF1RPDE4APDE4CPDE4D
SCHEMBL2482648 0.85 PDE4B (0.88) PDE4BCSF1RPDE4APDE4CPDE4D
SCHEMBL1276203 0.80 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL8307128 0.80 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL2479670 0.79 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL4267149 0.78 PDE4B (0.70) PDE4BCSF1RPDE4APDE4CPDE4D
SCHEMBL5409631 0.76 PDE4B (0.86) PDE4BCSF1R
SCHEMBL2723522 0.75 CSF1R (0.71) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 EP disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors BARKER MICHAEL D 2006-08-10 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 (4 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-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A PDE4B 2/4885CSF1R 1726/4885PDE4A 3/4885
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors PDE3B, PDE4B, PDE4A PDE4B 2/4885CSF1R 1726/4885PDE4A 3/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A PDE4B 2/4885CSF1R 1726/4885PDE4A 3/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A PDE4B 2/4885CSF1R 1726/4885PDE4A 3/4885

“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.