SCHEMBL4142736

SCHEMBL4142736

N#Cc1ccc(N(Cc2noc(-c3ccccn3)n2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.40
AR P10275 12/20 0.39
PGR P06401 2/20 0.39
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL4145083 0.87 AR (0.47) ARPGRKDM4EALDH1A1HPGD
SCHEMBL4137903 0.85 AR (0.40) ARPGRKDM4EALDH1A1HPGD
SCHEMBL4151095 0.84 NPC1 (0.44) GRM5ARPGRKDM4EALDH1A1
SCHEMBL4140744 0.83 AR (0.42) ARPGRKDM4EALDH1A1MEN1
SCHEMBL4139876 0.83 AR (0.40) ARPGR
SCHEMBL4153574 0.83 AR (0.40) ARPGR
SCHEMBL4144463 0.82 NR1H2 (0.45) ARPGRKDM4EALDH1A1HPGD
SCHEMBL4149957 0.82 KDM4E (0.40) ARPGRKDM4EALDH1A1HPGD
SCHEMBL4145488 0.82 AR (0.43) ARPGR
SCHEMBL4137954 0.82 AR (0.50) ARPGRKDM4EALDH1A1GAA

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 GRM5 102/4885AR 4/4885PGR 27/4885

“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.