SCHEMBL5768613

SCHEMBL5768613

CNc1nccc(-c2[nH]c(C3OCC(C)(CN)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.58
MAPK12 P53778 11/20 0.58
MAPK11 Q15759 11/20 0.58
MAPK14 Q16539 11/20 0.58
BRAF P15056 1/20 0.44
RAF1 P04049 1/20 0.43
MAPK9 P45984 1/20 0.43

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
SCHEMBL5770869 0.91 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769899 0.91 MAPK14 (0.60) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5771622 0.91 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5772529 0.91 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5798227 0.91 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5769020 0.91 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5769184 0.90 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5771787 0.90 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5769983 0.90 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5769496 0.89 MAPK14 (0.59) 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.