SCHEMBL319370

SCHEMBL319370

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
CNR1 P21554 2/20 0.36
RECQL P46063 1/20 0.36
XDH P47989 3/20 0.36
PIM1 P11309 6/20 0.35
PIM3 Q86V86 6/20 0.35
PIM2 Q9P1W9 6/20 0.35
CNR2 P34972 1/20 0.34
CTSA P10619 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL319437 0.89 AR (0.37) ARCNR1RECQLPIM1PIM3
SCHEMBL318957 0.86 GAA (0.40) ARCNR1PIM1PIM3PIM2
SCHEMBL11907594 0.80 GABRG2 (0.39) ARCNR1RECQLXDHPIM1
SCHEMBL318937 0.78 KDM4A (0.39) ARCNR1PIM1PIM3PIM2
SCHEMBL319082 0.76 GAA (0.38) ARPIM1PIM3PIM2
SCHEMBL1711977 0.76 PIM1 (0.44) PIM1PIM3PIM2KDM4E
SCHEMBL325771 0.75 GABRA5 (0.42) XDHCTSAALDH1A1
SCHEMBL319162 0.75 NPC1 (0.38) PIM1PIM3PIM2KDM4E
SCHEMBL29599851 0.75 KDM4E (0.53) PIM1PIM3PIM2CTSAKDM4E
SCHEMBL1711990 0.75 KDM4E (0.53) PIM1PIM3PIM2CTSAKDM4E

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 AR 1402/4885CNR1 3356/4885RECQL 3530/4885

“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.