SCHEMBL5337935

SCHEMBL5337935

CN1C(=O)c2c(Oc3ccccc3O)cc3[nH]c4ccccc4c3c2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
PRKCA P17252 3/20 0.41
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
CHEK1 O14757 7/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
WEE1 P30291 5/20 0.38
ROCK2 O75116 1/20 0.38
AHR P35869 1/20 0.37
GLI1 P08151 1/20 0.37
GLI2 P10070 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CDK4 P11802 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 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 0.90 WEE1 (0.49) PRKCACHEK1WEE1CDK4
SCHEMBL5339304 0.90 CHEK1 (0.49) CHEK1WEE1ROCK2GLI1GLI2
SCHEMBL5342513 0.87 ABCG2 (0.47) PARP1PRKCACHEK1ABCG2WEE1
SCHEMBL5346736 0.82 ABCG2 (0.38) PARP1PRKCAABCG2ROCK2AHR
SCHEMBL5338184 0.75 MAPT (0.34) PRKCAROCK2KDM4EALDH1A1
SCHEMBL5438544 0.71 PRKCA (0.71) PARP1PRKCACHEK1ROCK2GLI1
SCHEMBL5828670 0.70 PARP1 (0.59) PARP1PRKCAIMPDH2IMPDH1ABCG2
SCHEMBL14708732 0.66 ROCK2 (0.58) PARP1PRKCACHEK1ROCK2GLI1
SCHEMBL5440800 0.64 CDK4 (0.70) PRKCACHEK1ROCK2GLI1GLI2
SCHEMBL8122606 0.64 CDK4 (0.77) PRKCAROCK2CDK4PRKACAPRKACG

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 2 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
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 PARP1 3320/4885PRKCA 4339/4885IMPDH2 1873/4885

“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.