SCHEMBL4140744

SCHEMBL4140744

N#Cc1ccc(N(Cc2nnc(-c3ccccn3)o2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.42
PGR P06401 2/20 0.42
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EGFR P00533 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL4150714 0.89 PGR (0.40) ARPGREGFR
SCHEMBL4150044 0.89 PIEZO1 (0.41) ARPGRALDH1A1MEN1KMT2A
SCHEMBL4151282 0.87 AR (0.46) ARPGRNPC1RAB9AALDH1A1
SCHEMBL4145337 0.87 AR (0.41) ARPGRALDH1A1KDM4E
SCHEMBL4137693 0.86 AR (0.46) ARPGRNPC1RAB9A
SCHEMBL4153766 0.86 AR (0.40) ARPGR
SCHEMBL13777347 0.86 AR (0.40) ARPGRALDH1A1KDM4E
SCHEMBL4157710 0.86 AR (0.40) ARPGR
SCHEMBL4145916 0.84 AR (0.42) ARPGRNPC1RAB9AALDH1A1
SCHEMBL4140528 0.84 AR (0.43) ARPGRNPC1RAB9AALDH1A1

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 6 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
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 27/4885NPC1 845/4885

“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.