SCHEMBL4139876

SCHEMBL4139876

N#Cc1ccc(N(Cc2noc(-c3ccc(C(F)(F)F)cc3)n2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.40
PGR P06401 2/20 0.40
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
S1PR1 P21453 2/20 0.35
SPHK2 Q9NRA0 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL4153574 0.92 AR (0.40) ARPGRRXRARXRBRXRG
SCHEMBL4145083 0.91 AR (0.47) ARPGRS1PR1
SCHEMBL4144463 0.90 NR1H2 (0.45) ARPGRNR1H2NR1H3
SCHEMBL4136947 0.89 AR (0.43) ARPGRS1PR1
SCHEMBL4153700 0.87 AR (0.38) ARPGRS1PR1RXRARXRB
SCHEMBL4137903 0.85 AR (0.40) ARPGRRXRARXRBRXRG
SCHEMBL4149957 0.84 KDM4E (0.40) ARPGR
SCHEMBL4145488 0.83 AR (0.43) ARPGRRXRARXRBRXRG
SCHEMBL4145663 0.83 S1PR1 (0.44) ARPGRLMNATHRBS1PR1
SCHEMBL4137799 0.83 GRM5 (0.43) ARPGRLMNANR1H2NR1H3

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 4/4885PGR 27/4885LMNA 4180/4885

“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.