SCHEMBL5850302

SCHEMBL5850302

Fc1ccc(-c2ccn(CCCOCc3ccccc3)c2-c2ccncc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.51
MAPK13 O15264 10/20 0.51
MAPK12 P53778 10/20 0.51
MAPK11 Q15759 10/20 0.51
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAP4K4 O95819 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42
AURKB Q96GD4 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
MAPK10 P53779 1/20 0.39

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
SCHEMBL5850112 0.79 MAP4K4 (0.64) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL5850084 0.78 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL5850091 0.75 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL6772165 0.72 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL6803257 0.72 MAPK14 (0.74) MAPK14
SCHEMBL5850053 0.72 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL5851911 0.72 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL28750585 0.72 RIPK3 (0.44) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL6029394 0.72 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11CYP11B1
SCHEMBL6956938 0.71 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CYP11B1

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 7 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 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
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 3902/4885MAPK13 3723/4885MAPK12 3670/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A MAPK14 4157/4885MAPK13 3928/4885MAPK12 3800/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A MAPK14 3593/4885MAPK13 3231/4885MAPK12 3679/4885

“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.