SCHEMBL876023

SCHEMBL876023

OCc1cnc(Oc2ccc(F)c(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
PLA2G7 Q13093 1/20 0.39
CDK8 P49336 2/20 0.38
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 4/20 0.38
KIF11 P52732 1/20 0.38
AR P10275 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
RXRA P19793 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
VNN1 O95497 3/20 0.35
LTA4H P09960 3/20 0.35

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
SCHEMBL9901028 0.90 PLA2G7 (0.38) KCNH2HTR2ASLC6A4PLA2G7CDK8
SCHEMBL875283 0.89 BRAF (0.44) PLA2G7SMN1; SMN2
SCHEMBL14656579 0.85 TRPA1 (0.42) KCNH2HTR2ASLC6A4SMN1; SMN2LTA4H
SCHEMBL17459901 0.82 KIF11 (0.40) KCNH2HTR2ASLC6A4PLA2G7CDK8
SCHEMBL29918246 0.82 KIF11 (0.40) KCNH2HTR2ASLC6A4PLA2G7CDK8
SCHEMBL875683 0.81 P2RY1 (0.47) SMN1; SMN2
SCHEMBL875701 0.80 PTGER4 (0.42) KCNH2SMN1; SMN2LTA4H
SCHEMBL9900810 0.79 BRAF (0.43) PLA2G7SMN1; SMN2
SCHEMBL14656157 0.79 PLA2G7 (0.44) KCNH2HTR2ASLC6A4PLA2G7KIF11
SCHEMBL9900889 0.79 KCNH2 (0.39) KCNH2HTR2ASLC6A4PLA2G7CDK8

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 12 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
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 KCNH2 4045/4885HTR2A 1581/4885SLC6A4 4537/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 KCNH2 4045/4885HTR2A 1581/4885SLC6A4 4537/4885

“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.