SCHEMBL4154231

SCHEMBL4154231

N#Cc1ccc(N(Cc2cscn2)CC2CC2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.49
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
CNR2 P34972 1/20 0.36
PGR P06401 3/20 0.35
KCNH2 Q12809 2/20 0.35
CRHR1 P34998 1/20 0.35
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL4153668 0.88 AR (0.39) ARNR1H2NR1H3PGR
SCHEMBL4146594 0.85 AR (0.47) ARNR1H2NR1H3PGR
SCHEMBL3051201 0.75 AR (0.51) ARCNR2PGR
SCHEMBL3057837 0.75 AR (0.66) ARCNR2PGRCRHR1
SCHEMBL4151042 0.74 NR1H2 (0.45) ARNR1H2NR1H3PGR
SCHEMBL3290973 0.73 AR (0.49) ARCNR2PGR
SCHEMBL3039901 0.73 AR (0.49) ARCNR2PGR
SCHEMBL3288932 0.73 AR (0.48) ARCNR2PGR
SCHEMBL4149660 0.72 NR1H2 (0.47) ARNR1H2NR1H3PGRKCNH2
SCHEMBL13326316 0.71 AR (0.49) ARCNR2PGR

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-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US 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 4/4885NR1H2 61/4885NR1H3 57/4885

“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.