SCHEMBL2462406

SCHEMBL2462406

CCOc1cc(C(C#N)N2C(=O)c3ccc(N)cc3C2=O)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.58
PDE4B Q07343 13/20 0.58
PDE4C Q08493 13/20 0.58
PDE4D Q08499 13/20 0.58
ALDH1A1 P00352 3/20 0.54
TNF P01375 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL2460095 0.87 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13699741 0.86 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2459219 0.84 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL14528950 0.83 TNF (0.64) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL13699904 0.82 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL1566155 0.80 PDE4B (0.81) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7748803 0.79 TNF (0.86) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2459256 0.79 PDE4B (0.61) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL825490 0.77 TNF (0.71) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2461834 0.76 TNF (0.59) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026269-B2 Isoindoline compounds and methods of making and using the same CELGENE CORPORATION (US) 2011-09-27 US disclosed
US-20090148388-A1 Isoindoline Compounds and Methods of Making and Using the Same CELGENE CORPORATION 2009-06-11 US disclosed
US-7495112-B2 Isoindoline compounds and methods of making and using the same CELGENE CORPORATION (US) 2009-02-24 US disclosed
US-20070244183-A1 Isoindoline compounds and methods of making and using the same CELGENE CORPORATION 2007-10-18 US disclosed
US-7244759-B2 Isoindoline compounds and methods of making and using the same CELGENE CORPORATION (US) 2007-07-17 US disclosed
EP-1778635-A2 ISOINDOLINE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CELGENE CORPORATION (US) 2007-05-02 EP disclosed
US-20060084815-A1 Isoindoline compounds and methods of making and using the same AMGEN INC. 2006-04-20 US disclosed
WO-2006025991-A2 ISOINDOLINE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CELGENE CORPORATION (US) 2006-03-09 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 (3 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-20090148388-A1 Isoindoline Compounds and Methods of Making and Using the Same MCL1, HPGDS, TPMT PDE4A 1112/4885PDE4B 1194/4885PDE4C 1258/4885
US-20070244183-A1 Isoindoline compounds and methods of making and using the same MCL1, HPGDS, TPMT PDE4A 1112/4885PDE4B 1194/4885PDE4C 1258/4885
US-20060084815-A1 Isoindoline compounds and methods of making and using the same MCL1, HPGDS, TPMT PDE4A 1112/4885PDE4B 1194/4885PDE4C 1258/4885

“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.