SCHEMBL5770009

SCHEMBL5770009

CC1(C(=O)NCC#N)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCC(=O)O)n3)[nH]2)OC1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.70
MAPK12 P53778 11/20 0.70
MAPK11 Q15759 11/20 0.70
MAPK14 Q16539 11/20 0.70
BRAF P15056 2/20 0.41

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
SCHEMBL5771452 0.94 MAPK13 (0.70) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5769341 0.93 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5769617 0.93 MAPK14 (0.72) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5769672 0.93 MAPK14 (0.68) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5769550 0.93 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5773803 0.93 MAPK14 (0.71) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5771237 0.92 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5771362 0.92 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5772447 0.91 MAPK13 (0.81) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5772562 0.91 MAPK14 (0.74) MAPK13MAPK12MAPK11MAPK14BRAF

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 4 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

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.