SCHEMBL5771151

SCHEMBL5771151

C=C1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(N4CCOCC4)n3)[nH]2)OC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.46
MAPK12 P53778 8/20 0.46
MAPK11 Q15759 8/20 0.46
MAPK14 Q16539 8/20 0.46
PIK3CA P42336 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CB P42338 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5772516 0.93 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5771075 0.92 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770947 0.90 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5768096 0.90 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14PIK3CA
SCHEMBL5770656 0.86 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770815 0.85 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5772258 0.85 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14PIK3CA
SCHEMBL5773558 0.84 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5771089 0.83 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5772486 0.83 MAPK13 (0.51) 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.