SCHEMBL5764641

SCHEMBL5764641

CCCC1CC2C=C(c3c[nH]c(-c4cccc(C(F)(F)F)c4)c3-c3ccncc3)CCN2C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.46
MAPK11 Q15759 4/20 0.46
EPHX2 P34913 1/20 0.38
RIPK3 Q9Y572 1/20 0.36
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
RAF1 P04049 1/20 0.33
MAPK9 P45984 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CHRM4 P08173 1/20 0.32
RPS6KB1 P23443 2/20 0.30
PARP1 P09874 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL5765166 0.94 MAPK14 (0.47) MAPK14MAPK11EPHX2RIPK3MAPK13
SCHEMBL5765208 0.90 MAPK11 (0.52) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL5765792 0.89 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL5764488 0.88 MAPK14 (0.49) MAPK14MAPK11EPHX2RIPK3MAPK13
SCHEMBL5764827 0.87 MAPK14 (0.50) MAPK14MAPK11EPHX2RIPK3MAPK13
SCHEMBL5764069 0.86 MAPK14 (0.49) MAPK14MAPK11EPHX2RIPK3MAPK13
SCHEMBL5764363 0.86 MAPK14 (0.49) MAPK14MAPK11EPHX2RIPK3MAPK13
SCHEMBL5765678 0.85 MAPK14 (0.47) MAPK14MAPK11EPHX2RIPK3MAPK13
SCHEMBL6220174 0.85 MAPK14 (0.48) MAPK14MAPK11EPHX2RIPK3MAPK13
SCHEMBL5764109 0.85 MAPK14 (0.48) MAPK14MAPK11EPHX2RIPK3MAPK13

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 12 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
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 3630/4885EPHX2 466/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A MAPK14 4157/4885MAPK11 3723/4885EPHX2 429/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A MAPK14 3593/4885MAPK11 3364/4885EPHX2 635/4885

“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.