SCHEMBL5771481

SCHEMBL5771481

CC1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CC4)n3)[nH]2)OC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.60
MAPK13 O15264 9/20 0.60
MAPK12 P53778 9/20 0.60
MAPK11 Q15759 9/20 0.60
SOAT1 P35610 1/20 0.50
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CLK2 P49760 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CSNK1G2 P78368 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
AURKB Q96GD4 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
HIPK2 Q9H2X6 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
SCHEMBL5770904 0.95 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11SOAT1
SCHEMBL5771658 0.95 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11SOAT1
SCHEMBL5771138 0.93 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL5769567 0.90 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL5798227 0.90 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL5770673 0.90 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771787 0.90 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11SOAT1
SCHEMBL5771013 0.89 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770716 0.89 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771297 0.88 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US claimed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 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.