SCHEMBL5772456

SCHEMBL5772456

CC1(N)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.65
MAPK12 P53778 11/20 0.65
MAPK11 Q15759 11/20 0.65
MAPK14 Q16539 11/20 0.65
CSNK1A1 P48729 2/20 0.57
CSNK1D P48730 2/20 0.57
RPS6KA3 P51812 1/20 0.57
MAPK9 P45984 4/20 0.57
RAF1 P04049 3/20 0.57
SOAT1 P35610 2/20 0.56
GCGR P47871 3/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
FRK P42685 1/20 0.50
GSK3B P49841 1/20 0.50
PTK6 Q13882 1/20 0.50
PRKD2 Q9BZL6 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
BRAF P15056 1/20 0.49
ALOX5 P09917 2/20 0.48

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
SCHEMBL5768771 1.00 MAPK13 (0.65) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5770995 0.91 SOAT1 (0.68) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5771323 0.88 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5769272 0.88 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5769239 0.86 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5770379 0.86 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5769076 0.86 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5797741 0.86 SOAT1 (0.70) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5769642 0.85 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5770167 0.85 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14CSNK1A1

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 MAPK13 1610/4885MAPK12 2766/4885MAPK11 1125/4885

“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.