SCHEMBL5769006

SCHEMBL5769006

CNC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCCN(C)C)n3)[nH]2)OC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.72
MAPK12 P53778 11/20 0.72
MAPK11 Q15759 11/20 0.72
MAPK14 Q16539 11/20 0.72

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
SCHEMBL5771485 0.96 MAPK14 (0.69) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5773762 0.93 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769667 0.93 MAPK14 (0.70) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5771164 0.93 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770830 0.92 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5768863 0.92 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5768159 0.92 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5772640 0.92 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5768053 0.92 MAPK14 (0.72) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5767769 0.91 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.