SCHEMBL5772388

SCHEMBL5772388

COC(=O)C1(C)COC(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)OC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.70
MAPK13 O15264 12/20 0.70
MAPK12 P53778 12/20 0.70
MAPK11 Q15759 12/20 0.70
CSNK1A1 P48729 1/20 0.51
CSNK1D P48730 1/20 0.51
RPS6KA3 P51812 1/20 0.51
ALOX5 P09917 1/20 0.51
GCGR P47871 1/20 0.51
RAF1 P04049 2/20 0.50
MAPK9 P45984 2/20 0.50

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
SCHEMBL28773097 0.90 MAPK13 (0.67) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5769642 0.89 MAPK13 (0.74) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5770167 0.89 MAPK13 (0.74) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5773045 0.89 MAPK13 (0.70) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5769239 0.88 MAPK13 (0.73) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5773271 0.86 MAPK13 (0.70) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5770746 0.86 MAPK13 (0.67) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5771689 0.86 MAPK13 (0.70) MAPK14MAPK13MAPK12MAPK11CSNK1A1
Acetamide SCHEMBL27744839 0.86 MAPK13 (0.69) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5771047 0.85 MAPK13 (0.79) MAPK14MAPK13MAPK12MAPK11CSNK1A1

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
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-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.