SCHEMBL4137799

SCHEMBL4137799

N#Cc1ccc(N(Cc2noc(-c3cccc(OC(F)(F)F)c3)n2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
AR P10275 8/20 0.41
PGR P06401 2/20 0.41
S1PR1 P21453 1/20 0.41
USP30 Q70CQ3 1/20 0.38
ADORA1 P30542 3/20 0.37
ADORA2A P29274 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
KDM5A P29375 1/20 0.34
XDH P47989 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4136947 0.90 AR (0.43) ARPGRS1PR1USP30
SCHEMBL4144463 0.88 NR1H2 (0.45) ARPGRCTSSCTSKNR1H2
SCHEMBL4145083 0.87 AR (0.47) ARPGRS1PR1L3MBTL1HPGD
SCHEMBL4139876 0.83 AR (0.40) ARPGRS1PR1NR1H2NR1H3
SCHEMBL4153574 0.83 AR (0.40) ARPGR
SCHEMBL4160058 0.81 L3MBTL1 (0.41) ARPGRCTSSCTSKNR1H2
SCHEMBL4137903 0.80 AR (0.40) ARPGRL3MBTL1HPGD
SCHEMBL4153700 0.80 AR (0.38) ARPGRS1PR1
SCHEMBL4154148 0.79 CETP (0.47) ARPGRS1PR1
SCHEMBL4142736 0.79 GRM5 (0.40) GRM5ARPGRL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US claimed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP claimed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP disclosed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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-20090170907-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 GRM5 102/4885AR 4/4885PGR 27/4885

“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.