SCHEMBL318890

SCHEMBL318890

O=C(O)c1ccnn(-c2ccccc2F)c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
NOTUM Q6P988 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
NR3C2 P08235 1/20 0.43
HSP90AA1 P07900 3/20 0.43
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
PDE10A Q9Y233 1/20 0.38
SCN9A Q15858 1/20 0.38
ALB P02768 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL25340890 0.83 ALB (0.42) MAPK14NOTUMSMN1; SMN2KDM4EALB
SCHEMBL5717721 0.79 MAPT (0.47) MAPK14SMN1; SMN2KDM4EALDH1A1
SCHEMBL29907547 0.75 UGCG (0.64) SMN1; SMN2KDM4ESCN9A
SCHEMBL29907499 0.75 UGCG (0.47) TSHRKDM4EALDH1A1
SCHEMBL14696701 0.75 HSP90AA1 (0.54) MAPK14NOTUMSMN1; SMN2NR3C2HSP90AA1
SCHEMBL680352 0.75 AXL (0.47) MAPK14NOTUMNR3C2KDM4EALDH1A1
SCHEMBL29812516 0.74 NR3C2 (0.47) NOTUMNR3C2
SCHEMBL23147364 0.74 NR3C2 (0.47) NOTUMNR3C2
SCHEMBL3101175 0.74 ALKBH2 (0.47) SMN1; SMN2TSHRKDM4EALDH1A1ALOX15
SCHEMBL20604197 0.73 MAPK14 (0.57) MAPK14NOTUMSMN1; SMN2KDM4EALDH1A1

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 MAPK14 203/4885NOTUM 2099/4885SMN1; SMN2 2599/4885

“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.