SCHEMBL4139841

SCHEMBL4139841

N#Cc1cccc(CN(CC(F)(F)F)c2ccc(C#N)c(C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.46
PGR P06401 2/20 0.46
S1PR1 P21453 2/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
RORC P51449 1/20 0.38
MEP1A Q16819 1/20 0.38
MEP1B Q16820 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
SCHEMBL4145067 0.88 AR (0.46) ARPGRS1PR1NR1H2NR1H3
SCHEMBL4152973 0.88 AR (0.46) ARPGRS1PR1NR1H2NR1H3
SCHEMBL4154134 0.88 AR (0.53) ARPGRNR1H2NR1H3
SCHEMBL4146498 0.87 AR (0.45) ARPGRS1PR1NR1H2NR1H3
SCHEMBL4149787 0.87 AR (0.53) ARPGRS1PR1
SCHEMBL4146208 0.87 AR (0.50) ARPGRS1PR1NR1H2NR1H3
SCHEMBL4149313 0.86 AR (0.48) ARPGR
SCHEMBL4151066 0.86 AR (0.46) ARPGRS1PR1NR1H2NR1H3
SCHEMBL4154148 0.84 CETP (0.47) ARPGRS1PR1
SCHEMBL4150249 0.84 AR (0.56) ARPGRS1PR1

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 AR 4/4885PGR 27/4885S1PR1 781/4885

“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.