SCHEMBL5850546

SCHEMBL5850546

CN(C)CCCc1c[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.48
SLC6A4 P31645 1/20 0.48
ALOX5 P09917 3/20 0.47
MAPK14 Q16539 12/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
GCGR P47871 2/20 0.43
RAF1 P04049 1/20 0.41
MAPK9 P45984 1/20 0.41

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
SCHEMBL27561505 0.88 MAPK14 (0.44) MPOSLC6A4ALOX5MAPK14MAPK13
SCHEMBL5850129 0.83 MAPK14 (0.48) MPOALOX5MAPK14MAPK13MAPK12
SCHEMBL5849797 0.83 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5849830 0.82 MPO (0.48) MPOMAPK14MAPK13MAPK12MAPK11
SCHEMBL5850311 0.82 MAPK14 (0.47) MPOSLC6A4ALOX5MAPK14MAPK13
SCHEMBL5850062 0.80 MPO (0.48) MPOSLC6A4ALOX5MAPK14MAPK13
SCHEMBL5849904 0.78 MPO (0.53) MPOMAPK14MAPK11
SCHEMBL5851433 0.78 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5851941 0.78 ALOX5 (0.47) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL5849702 0.77 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US claimed
CN-1525968-A composition for preventing or treating liver disease 三共株式会社 2004-09-01 CN claimed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP claimed
CN-1295069-A Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2001-05-16 CN claimed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP claimed
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 CN disclosed
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
CN-1525968-A composition for preventing or treating liver disease 三共株式会社 2004-09-01 CN 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
CN-1295069-A Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2001-05-16 CN 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 MPO 86/4885SLC6A4 4844/4885ALOX5 427/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A MPO 81/4885SLC6A4 4830/4885ALOX5 605/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A MPO 85/4885SLC6A4 4842/4885ALOX5 126/4885

“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.