SCHEMBL4145197

SCHEMBL4145197

N#Cc1ccc(N(Cc2csc(-c3cccs3)n2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
AR P10275 4/20 0.39
PGR P06401 1/20 0.39
GAA P10253 2/20 0.39
RXFP1 Q9HBX9 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 3/20 0.36
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 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
SCHEMBL4156737 0.86 AR (0.40) KDM4EALDH1A1TDP1L3MBTL1AR
SCHEMBL4152826 0.85 TP53 (0.43) KDM4EMAPTARPGRLMNA
SCHEMBL4153754 0.82 AR (0.45) L3MBTL1ARPGR
SCHEMBL4149957 0.79 KDM4E (0.40) KDM4EMAPTALDH1A1TDP1MAPK1
SCHEMBL4153498 0.79 AR (0.56) KDM4EALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL4146594 0.75 AR (0.47) ARPGR
SCHEMBL4146615 0.75 AR (0.47) ARPGR
SCHEMBL3055003 0.73 AR (0.57) ARPGR
SCHEMBL4145664 0.73 AR (0.46) ARPGR
SCHEMBL4145067 0.73 AR (0.46) 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 KDM4E 2095/4885MAPT 1691/4885ALDH1A1 1164/4885

“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.