SCHEMBL4145083

SCHEMBL4145083

N#Cc1ccc(N(Cc2noc(-c3ccccc3)n2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.47
PGR P06401 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NOTUM Q6P988 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CTSL P07711 1/20 0.37
S1PR1 P21453 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4139876 0.91 AR (0.40) ARPGRS1PR1
SCHEMBL4153574 0.91 AR (0.40) ARPGR
SCHEMBL4144463 0.91 NR1H2 (0.45) ARPGRL3MBTL1KDM4EALDH1A1
SCHEMBL4136947 0.88 AR (0.43) ARPGRS1PR1
SCHEMBL4142736 0.87 GRM5 (0.40) ARPGRL3MBTL1KDM4EALDH1A1
SCHEMBL4137799 0.87 GRM5 (0.43) ARPGRL3MBTL1HPGDS1PR1
SCHEMBL4137903 0.86 AR (0.40) ARPGRL3MBTL1KDM4EALDH1A1
SCHEMBL4153700 0.86 AR (0.38) ARPGRS1PR1
SCHEMBL4149957 0.85 KDM4E (0.40) ARPGRL3MBTL1KDM4EALDH1A1
SCHEMBL4145488 0.84 AR (0.43) ARPGR

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 27/4885L3MBTL1 4755/4885

“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.