SCHEMBL5764488

SCHEMBL5764488

CC1CC2C=C(c3c[nH]c(-c4cccc(C(F)(F)F)c4)c3-c3ccncc3)CCN2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.49
MAPK11 Q15759 3/20 0.49
EPHX2 P34913 1/20 0.40
MAPK13 O15264 1/20 0.35
RAF1 P04049 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK12 P53778 1/20 0.35
RIPK3 Q9Y572 1/20 0.33
CNR2 P34972 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR2C P28335 2/20 0.32
RPS6KB1 P23443 1/20 0.32
KDM1A O60341 2/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL5764827 0.90 MAPK14 (0.50) MAPK14MAPK11EPHX2MAPK13RAF1
SCHEMBL5764757 0.90 MAPK11 (0.58) MAPK14MAPK11MAPK13RAF1MAPK12
SCHEMBL5764363 0.90 MAPK14 (0.49) MAPK14MAPK11EPHX2MAPK13RAF1
SCHEMBL5764069 0.90 MAPK14 (0.49) MAPK14MAPK11EPHX2MAPK13RAF1
SCHEMBL5765166 0.89 MAPK14 (0.47) MAPK14MAPK11EPHX2MAPK13RAF1
SCHEMBL5765678 0.89 MAPK14 (0.47) MAPK14MAPK11EPHX2MAPK13RAF1
SCHEMBL5762860 0.89 MAPK11 (0.56) MAPK14MAPK11MAPK13RAF1MAPK12
SCHEMBL5764109 0.88 MAPK14 (0.48) MAPK14MAPK11EPHX2MAPK13RAF1
SCHEMBL6220174 0.88 MAPK14 (0.48) MAPK14MAPK11EPHX2MAPK13RAF1
SCHEMBL6217964 0.88 MAPK14 (0.46) MAPK14MAPK11EPHX2MAPK13RAF1

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 3630/4885EPHX2 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.