SCHEMBL5344922

SCHEMBL5344922

Cn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4cc(O)ccc4c3c2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 6/20 0.48
CDK5R1 Q15078 5/20 0.48
DYRK1A Q13627 4/20 0.45
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
ROCK2 O75116 4/20 0.44
CHEK1 O14757 1/20 0.43
GLI1 P08151 2/20 0.42
GLI2 P10070 2/20 0.42
TOP1 P11387 1/20 0.39
CDK4 P11802 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
CCND1 P24385 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5347369 0.91 CDK5 (0.48) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL5334001 0.86 CDK2 (0.46) CDK5CDK5R1CDK4CCND1HPGD
SCHEMBL5337017 0.86 CDK5 (0.42) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL5337910 0.86 MAP3K11 (0.46) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL5334145 0.83 CDK5 (0.52) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL5333886 0.80 CDK5 (0.43) CDK5CDK5R1CDK4CCND1KDM4E
SCHEMBL5337243 0.77 CDK5 (0.42) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL5343061 0.74 CHEK1 (0.59) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL5341285 0.73 MPO (0.39) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL5334652 0.71 MPO (0.50) ROCK2CHEK1CDK4PRKACAPRKACG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202255-B2 Substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2007-04-10 US disclosed
EP-1587810-B1 NOVEL SUBSTITUTED 1,4|BENZODIOXINO 2,3-E|ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2006-11-08 EP disclosed
US-20060040930-A1 Novel substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-02-23 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-20060040930-A1 Novel substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same CYP11B2, CYP2F1, CYP3A43 CDK5 1566/4885CDK5R1 1020/4885DYRK1A 3600/4885

“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.