SCHEMBL319162

SCHEMBL319162

CC(C)C(=O)Nc1ccc(F)c(-c2nc(C(=O)O)ccc2F)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
PIM2 Q9P1W9 9/20 0.38
PIM1 P11309 8/20 0.38
PIM3 Q86V86 8/20 0.38
KDR P35968 1/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
TP53 P04637 2/20 0.35
MDM4 O15151 1/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CETP P11597 1/20 0.34
NOS1 P29475 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL319209 0.88 ALDH1A1 (0.40) NPC1PIM2PIM1PIM3KDR
SCHEMBL319312 0.86 KDM4E (0.42) PIM2PIM1PIM3L3MBTL1KDM4E
SCHEMBL1711977 0.76 PIM1 (0.44) PIM2PIM1PIM3L3MBTL1KDM4E
SCHEMBL319370 0.75 AR (0.37) PIM2PIM1PIM3KDM4E
SCHEMBL319384 0.73 IAPP (0.46) NPC1PIM2PIM1PIM3
SCHEMBL21503648 0.73 NPC1 (0.61) NPC1TP53MDM4GAACETP
SCHEMBL318957 0.73 GAA (0.40) PIM2PIM1PIM3GAA
SCHEMBL1910596 0.73 KDM4E (0.36) PIM2PIM1PIM3L3MBTL1KDM4E
SCHEMBL12488326 0.72 ECE1 (0.34) PIM2PIM1PIM3L3MBTL1KDM4E
SCHEMBL29599851 0.72 KDM4E (0.53) PIM2PIM1PIM3L3MBTL1KDM4E

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
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 NPC1 2570/4885PIM2 4/4885PIM1 1/4885

“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.