SCHEMBL5763168

SCHEMBL5763168

Clc1cccc(-c2[nH]cc(C3=CC4CC(c5ccccc5)CN4CC3)c2-c2ccncc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.49
MAPK11 Q15759 6/20 0.49
MAPK13 O15264 4/20 0.35
MAPK12 P53778 4/20 0.35
RAF1 P04049 2/20 0.35
GSK3B P49841 1/20 0.33
SLC9A1 P19634 1/20 0.32
GCGR P47871 1/20 0.32
STK4 Q13043 2/20 0.31
STK3 Q13188 2/20 0.31
LRRK2 Q5S007 2/20 0.31
DPP4 P27487 1/20 0.31
PARP1 P09874 2/20 0.31
MAPK1 P28482 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
SCHEMBL6223108 1.00 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL6218187 0.92 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL6220074 0.92 MAPK11 (0.56) MAPK14MAPK11RAF1GSK3BPARP1
SCHEMBL5764180 0.91 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL5763781 0.90 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL6221125 0.90 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12GSK3B
SCHEMBL6219051 0.90 MAPK11 (0.52) MAPK14MAPK11SLC9A1
SCHEMBL6219480 0.89 MAPK11 (0.54) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6391898 0.89 MAPK11 (0.36) MAPK14MAPK11SLC9A1STK4STK3
SCHEMBL5765704 0.88 MAPK14 (0.51) 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
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP claimed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO 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

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.