SCHEMBL4025534

SCHEMBL4025534

Nc1ccc(-c2cccc(OC(F)(F)F)c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.57
KCNH2 Q12809 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.50
XDH P47989 1/20 0.48
DYRK1A Q13627 4/20 0.47
NPY5R Q15761 1/20 0.46
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
ATR Q13535 2/20 0.46
PIK3CD O00329 1/20 0.46
BTK Q06187 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ABL1 P00519 1/20 0.43
SLC6A7 Q99884 1/20 0.43
PIK3CB P42338 1/20 0.42
PRKDC P78527 1/20 0.42
ATM Q13315 1/20 0.42
ATRIP Q8WXE1 1/20 0.42
GRM5 P41594 1/20 0.42

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
SCHEMBL24155496 0.85 BTK (0.46) MAP4K4KCNH2SCN10AXDHDYRK1A
SCHEMBL18654126 0.82 LTA4H (0.56) MAP4K4KCNH2SCN10AALOX5APFEN1
SCHEMBL3270228 0.82 DYRK1A (0.50) KCNH2SCN10ADYRK1ANPY5RATR
SCHEMBL12486978 0.80 MAP4K4 (0.62) MAP4K4DYRK1AADORA2AADORA1ATM
SCHEMBL1337217 0.79 TAAR1 (0.52) KCNH2SCN10AXDHDYRK1ANPY5R
SCHEMBL13728698 0.78 KCNH2 (0.47) KCNH2SCN10AXDHDYRK1ANPY5R
SCHEMBL31356703 0.78 DYRK1A (0.44) KCNH2SCN10AXDHDYRK1ANPY5R
SCHEMBL5358364 0.78 KCNH2 (0.52) KCNH2SCN10AXDHDYRK1ANPY5R
SCHEMBL2380991 0.78 XDH (0.49) KCNH2SCN10AXDHDYRK1ANPY5R
SCHEMBL21770975 0.77 XDH (0.51) MAP4K4KCNH2SCN10AXDHDYRK1A

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
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R MAP4K4 2887/4885KCNH2 1056/4885SCN10A 732/4885

“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.