SCHEMBL5850331

SCHEMBL5850331

FC(F)(F)c1cccc(-c2[nH]cc(C3=CCN4CCCC4C3)c2-c2ccncc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.44
MAPK11 Q15759 3/20 0.44
EPHX2 P34913 1/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK12 P53778 1/20 0.36
HTR2C P28335 2/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CPT2 P23786 1/20 0.34

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
SCHEMBL5851727 0.88 MAPK11 (0.51) MAPK14MAPK11MAPK13RAF1MAPK12
SCHEMBL5850323 0.86 MAPK14 (0.46) MAPK14MAPK11MAPK13MAPK12
SCHEMBL5850082 0.86 MAPK11 (0.51) MAPK14MAPK11MAPK13MAPK12RPS6KB1
SCHEMBL5850032 0.83 MAPK11 (0.52) MAPK14MAPK11MAPK13MAPK12
SCHEMBL5850103 0.82 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12
SCHEMBL5850623 0.81 MAPK14 (0.69) MAPK14MAPK11EPHX2NPC1RAB9A
SCHEMBL5849928 0.79 MAPK14 (0.61) MAPK14MAPK11MAPK13RAF1MAPK9
SCHEMBL5764488 0.74 MAPK14 (0.49) MAPK14MAPK11EPHX2NPC1RAB9A
SCHEMBL6994366 0.73 HTR1A (0.40) MEN1GAAMAPTKMT2AKDM4E
SCHEMBL5764827 0.73 MAPK14 (0.50) MAPK14MAPK11EPHX2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US claimed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 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-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP claimed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP 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
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP 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.