SCHEMBL5339304

SCHEMBL5339304

CN1C(=O)c2c(Oc3ccccc3O)cc3[nH]c4cc(O)ccc4c3c2C1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.49
WEE1 P30291 9/20 0.44
ROCK2 O75116 3/20 0.40
GLI1 P08151 2/20 0.38
GLI2 P10070 2/20 0.38
CDK4 P11802 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
CCND1 P24385 1/20 0.38
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5345854 0.91 WEE1 (0.49) CHEK1WEE1CDK4
SCHEMBL5337935 0.90 PARP1 (0.41) CHEK1WEE1ROCK2GLI1GLI2
SCHEMBL5342513 0.77 ABCG2 (0.47) CHEK1WEE1ROCK2CDK4PRKACA
SCHEMBL8498825 0.74 CHEK1 (0.79) CHEK1ROCK2GLI1GLI2CDK4
SCHEMBL5346736 0.73 ABCG2 (0.38) ROCK2CDK4PRKACAPRKACGPRKACB
SCHEMBL5338184 0.70 MAPT (0.34) ROCK2KDM4EALDH1A1GLAGAA
SCHEMBL5337778 0.67 MAOB (0.40)
SCHEMBL27648910 0.62 IMPDH2 (0.67) CHEK1WEE1ROCK2GLI1GLI2
SCHEMBL2714037 0.61 MAOB (0.54) KDM4EALDH1A1GAAHPGD
SCHEMBL28849158 0.61 IMPDH2 (0.74) CHEK1WEE1ROCK2GLI1GLI2

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 CHEK1 4285/4885WEE1 2710/4885ROCK2 2850/4885

“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.