SCHEMBL5770950

SCHEMBL5770950

COc1cccc(Nc2nccc(-c3[nH]c(C4(C(N)=O)OCC(C)(C(=O)OC(C)C)CO4)nc3-c3ccc(F)cc3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.48
PIK3CA P42336 3/20 0.48
PIK3CB P42338 3/20 0.42
MAPK14 Q16539 5/20 0.40
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
MAPK11 Q15759 3/20 0.40
MET P08581 1/20 0.39
KDR P35968 1/20 0.39
JAK2 O60674 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
MTOR P42345 1/20 0.38
SMG1 Q96Q15 1/20 0.38

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
SCHEMBL5771509 0.92 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL5770794 0.91 MAPK14 (0.41) PIK3CGPIK3CAPIK3CBMAPK14MAPK13
SCHEMBL5770845 0.90 ABL1 (0.40) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769007 0.90 GSK3B (0.40) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769003 0.89 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770423 0.89 PIK3CG (0.46) PIK3CGPIK3CAPIK3CBMAPK14MAPK13
SCHEMBL5770328 0.89 PIK3CG (0.46) PIK3CGPIK3CAPIK3CBMAPK14MAPK13
SCHEMBL5770437 0.87 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767771 0.86 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770976 0.86 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11JAK2

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 PIK3CG 3852/4885PIK3CA 3229/4885PIK3CB 3656/4885

“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.