SCHEMBL875280

SCHEMBL875280

N#Cc1cc(F)c(Oc2cccc(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
P2RY1 P47900 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
RECQL P46063 1/20 0.43
AR P10275 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LTA4H P09960 1/20 0.40
RIPK2 O43353 1/20 0.39
F10 P00742 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLA2G7 Q13093 1/20 0.39
MAPT P10636 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL8546460 0.87 MAPT (0.42) POLBARALDH1A1MAPT
SCHEMBL7077333 0.83 POLB (0.50) POLBP2RY1CYP1A2CYP2C9CYP2C19
SCHEMBL7072035 0.83 POLB (0.50) POLBP2RY1CYP1A2CYP2C9CYP2C19
SCHEMBL875648 0.83 AR (0.47) POLBP2RY1CYP1A2CYP2C9CYP2C19
SCHEMBL921315 0.81 POLB (0.51) POLBP2RY1CYP1A2CYP2C9CYP2C19
SCHEMBL883804 0.80 TSHR (0.50) POLBCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL8773215 0.79 CYP1A2 (0.50) POLBP2RY1CYP1A2CYP2C9CYP2C19
SCHEMBL24998741 0.79 PPARG (0.46) POLBP2RY1CYP2C9CYP2C19L3MBTL1
SCHEMBL15832087 0.79 L3MBTL1 (0.50) POLBP2RY1CYP1A2CYP2C9CYP2C19
SCHEMBL11039112 0.77 KIF11 (0.47) POLBARMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 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 (2 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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 POLB 1644/4885P2RY1 1187/4885CYP1A2 2190/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 POLB 1644/4885P2RY1 1187/4885CYP1A2 2190/4885

“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.