SCHEMBL4145277

SCHEMBL4145277

N#Cc1ccc(N(Cc2nnc(-c3cccnc3)o2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
AR P10275 7/20 0.41
PGR P06401 1/20 0.41
RAB9A P51151 3/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 1/20 0.37
LMNA P02545 1/20 0.36
EGFR P00533 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL4136818 0.89 AR (0.42) ARPGR
SCHEMBL4151282 0.89 AR (0.46) NPC1ARPGRRAB9ALMNA
SCHEMBL4140528 0.88 AR (0.43) NPC1ARPGRRAB9AKMT2A
SCHEMBL4149443 0.86 AR (0.40) ARPGRKMT2A
SCHEMBL4137720 0.86 NR1H2 (0.46) NPC1ARPGRRAB9AKDM4E
SCHEMBL4142569 0.86 AR (0.41) ARPGR
SCHEMBL4153133 0.85 AR (0.52) NPC1ARPGRRAB9ALMNA
SCHEMBL4139853 0.85 AR (0.41) ARPGR
SCHEMBL4150044 0.85 PIEZO1 (0.41) ARPGRKMT2AALDH1A1HSD17B10
SCHEMBL4150660 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 7 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
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP claimed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO 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 NPC1 845/4885AR 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.