SCHEMBL5765482

SCHEMBL5765482

COC1CC2C=C(c3c[nH]c(-c4cccc(Cl)c4)c3-c3ccncc3)CCN2C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.48
MAPK11 Q15759 6/20 0.48
MAPK13 O15264 4/20 0.41
MAPK12 P53778 4/20 0.41
RAF1 P04049 1/20 0.33
GSK3B P49841 1/20 0.33
SLC9A1 P19634 1/20 0.32
GCGR P47871 1/20 0.32
STK4 Q13043 4/20 0.31
STK3 Q13188 4/20 0.31
LRRK2 Q5S007 3/20 0.31
MET P08581 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL5765535 0.90 MAPK11 (0.54) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL5763628 0.90 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL5764383 0.88 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL5765678 0.88 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL5765704 0.87 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL5766919 0.86 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL5766570 0.86 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL5762828 0.86 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL6221125 0.86 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12GSK3B
SCHEMBL5763168 0.85 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12RAF1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US claimed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP claimed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US claimed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 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 (3 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B MAPK14 3902/4885MAPK11 3630/4885MAPK13 3723/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A MAPK14 4157/4885MAPK11 3723/4885MAPK13 3928/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A MAPK14 3593/4885MAPK11 3364/4885MAPK13 3231/4885

“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.