SCHEMBL318937

SCHEMBL318937

CN(C)C(=O)c1ccc(F)c(-c2nc(C(=O)O)ccc2F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.39
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CTSA P10619 1/20 0.34
PIM1 P11309 6/20 0.33
ECE1 P42892 1/20 0.33
PIM2 Q9P1W9 6/20 0.32
PIM3 Q86V86 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
AR P10275 1/20 0.31
CNR1 P21554 1/20 0.30
MGAM O43451 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL319755 0.86 CTSA (0.37) KDM4ACTSAPIM1PIM2PIM3
SCHEMBL318957 0.81 GAA (0.40) PIM1PIM2PIM3ARCNR1
SCHEMBL1711977 0.79 PIM1 (0.44) PIM1ECE1PIM2PIM3KDM4E
SCHEMBL319370 0.78 AR (0.37) CTSAPIM1PIM2PIM3KDM4E
SCHEMBL1910596 0.76 KDM4E (0.36) KMT2AMEN1PIM1PIM2PIM3
SCHEMBL29599851 0.75 KDM4E (0.53) CTSAPIM1ECE1PIM2PIM3
SCHEMBL1711990 0.75 KDM4E (0.53) CTSAPIM1ECE1PIM2PIM3
SCHEMBL12488326 0.75 ECE1 (0.34) PIM1ECE1PIM2PIM3KDM4E
SCHEMBL2728590 0.75 GPBAR1 (0.34) KMT2AMEN1PIM1KDM4EL3MBTL1
SCHEMBL318608 0.75 KDM4E (0.50) KMT2AMEN1PIM1PIM2PIM3

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-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 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-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B KDM4A 822/4885KMT2A 691/4885MEN1 2862/4885

“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.