SCHEMBL12367288

SCHEMBL12367288

Fc1cccc(F)c1-c1cccc(-c2ccc3nccc(OCC(F)(F)F)c3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
SCN9A Q15858 1/20 0.35
CTSS P25774 2/20 0.34
TGFBR1 P36897 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CTSK P43235 1/20 0.33
KMO O15229 1/20 0.33
MET P08581 1/20 0.32
KDR P35968 1/20 0.32
MST1R Q04912 1/20 0.32
FAAH O00519 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
SCHEMBL2184913 0.84 MET (0.39) PIM1PIM3PIM2ALOX5APFEN1
SCHEMBL12391063 0.84 PIM1 (0.38) PIM1PIM3PIM2CTSSCTSK
SCHEMBL2184767 0.83 PIM1 (0.37) AAK1PIM1PIM3PIM2KMO
SCHEMBL2185982 0.78 PIM1 (0.43) PIM1PIM3PIM2TGFBR1KMO
SCHEMBL27984788 0.73 ESR1 (0.40) PIM1PIM3PIM2ALOX5APFEN1
SCHEMBL23992896 0.71 SLC22A12 (0.47) AAK1PIM1PIM3
SCHEMBL30224890 0.71 SLC22A12 (0.47) AAK1PIM1PIM3
SCHEMBL28187082 0.70 SSTR4 (0.45) AAK1METKDR
SCHEMBL5503064 0.68 APP (0.43) AAK1
SCHEMBL2183445 0.67 PLAU (0.40) ALOX5APFEN1TGFBR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US 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-20110195980-A1 Bicyclic Kinase Inhibitors PIM1, PIM2, PIM3 AAK1 287/4885PIM1 1/4885PIM3 3/4885

“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.