SCHEMBL5772485

SCHEMBL5772485

CC1(C(=O)OCC#N)COC(C(N)=O)(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccncc4)n3)[nH]2)OC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.40
MAPK13 O15264 7/20 0.40
MAPK12 P53778 7/20 0.40
MAPK11 Q15759 7/20 0.40
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRAF P15056 1/20 0.35

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
SCHEMBL5770611 0.97 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11CDK4
SCHEMBL5773988 0.95 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771292 0.93 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5772536 0.92 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5769933 0.91 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5771199 0.91 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5773807 0.90 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5770423 0.90 PIK3CG (0.46) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770119 0.89 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11CDK4
SCHEMBL5770863 0.89 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11BRAF

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 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.