SCHEMBL319604

SCHEMBL319604

N#Cc1ccc(F)c(-c2nc(C(=O)O)ccc2F)c1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.36
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP11B2 P19099 4/20 0.34
CYP11B1 P15538 3/20 0.34
GRM4 Q14833 1/20 0.33
CNR2 P34972 1/20 0.33
NOTUM Q6P988 1/20 0.33
MGAM O43451 1/20 0.33
HSD17B14 Q9BPX1 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL1711977 0.79 PIM1 (0.44) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL1910596 0.79 KDM4E (0.36) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL318608 0.78 KDM4E (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29533318 0.78 KDM4E (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL1711990 0.75 KDM4E (0.53) KDM4EALOX15PIM1PIM3PIM2
SCHEMBL12077498 0.75 MGAM (0.35) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL12488326 0.75 ECE1 (0.34) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29599851 0.75 KDM4E (0.53) KDM4EALOX15PIM1PIM3PIM2
SCHEMBL319715 0.74 MYC (0.38) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL319312 0.73 KDM4E (0.42) KDM4EPIM1PIM3PIM2

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 5 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

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 XDH 2702/4885KDM4E 636/4885ALOX15 4473/4885

“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.