SCHEMBL5772445

SCHEMBL5772445

C[C]1COC(C(N)=O)(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.47
MAPK13 O15264 7/20 0.47
MAPK12 P53778 7/20 0.47
MAPK11 Q15759 7/20 0.47
GCGR P47871 5/20 0.47
ALOX5 P09917 8/20 0.47
TGFBR1 P36897 1/20 0.47
PRKD3 O94806 2/20 0.46
MAP4K4 O95819 2/20 0.46
FRK P42685 2/20 0.46
MAPK9 P45984 2/20 0.46
CSNK1A1 P48729 2/20 0.46
CSNK1D P48730 2/20 0.46
GSK3B P49841 2/20 0.46
PTK6 Q13882 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
PRKD2 Q9BZL6 1/20 0.46
BRAF P15056 2/20 0.46
KDM4E B2RXH2 1/20 0.45
CIT O14578 1/20 0.45

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
SCHEMBL5772450 0.87 CSNK1A1 (0.50) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL27572119 0.81 MAPK13 (0.47) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5769507 0.76 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL27518807 0.73 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL27545896 0.72 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5962371 0.71 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5769239 0.71 MAPK13 (0.73) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL27518737 0.70 CSNK1A1 (0.61) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL27450957 0.70 MAPK13 (0.50) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5962480 0.70 MAPK13 (0.56) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 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
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
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP 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.