SCHEMBL5769904

SCHEMBL5769904

CN(C)CCCC(=O)NC1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.69
MAPK13 O15264 11/20 0.69
MAPK12 P53778 11/20 0.69
MAPK11 Q15759 11/20 0.69
ALOX5 P09917 1/20 0.46
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
RPS6KA3 P51812 1/20 0.44
RAF1 P04049 2/20 0.43
MAPK9 P45984 2/20 0.43
SOAT1 P35610 2/20 0.43

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
SCHEMBL5769188 0.91 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5770605 0.91 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5770136 0.89 MAPK13 (0.74) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL27545930 0.88 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5769509 0.87 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5771047 0.85 MAPK13 (0.79) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5769892 0.84 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5771441 0.84 MAPK13 (0.76) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5767625 0.83 MAPK13 (0.73) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5768789 0.82 MAPK13 (0.65) MAPK14MAPK13MAPK12MAPK11SOAT1

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
CN-100443481-C Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2008-12-17 CN claimed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US claimed
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US claimed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP claimed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO claimed
CN-100443481-C Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2008-12-17 CN disclosed
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed
CN-1273584-A Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2000-11-15 CN disclosed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP disclosed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 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 (1 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-20040038991-A1 Imidazolyl-cyclic acetals CBR1, LBR, CBR3 MAPK14 1915/4885MAPK13 1610/4885MAPK12 2766/4885

“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.