SCHEMBL5772948

SCHEMBL5772948

CC1(N)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccncc4)n3)[nH]2)OC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.60
MAPK13 O15264 11/20 0.60
MAPK12 P53778 11/20 0.60
MAPK11 Q15759 11/20 0.60
KCNH2 Q12809 1/20 0.47

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
SCHEMBL5769160 0.96 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6075164 0.93 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6075073 0.93 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5770992 0.92 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5770910 0.90 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769815 0.90 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772501 0.90 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5770455 0.90 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5770854 0.89 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771617 0.89 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11KCNH2

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.