SCHEMBL14927281

SCHEMBL14927281

FC(F)(F)c1ccc2nc(C3CCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.46
FABP5 Q01469 3/20 0.46
NPBWR1 P48145 1/20 0.39
ESR1 P03372 1/20 0.38
DGAT1 O75907 2/20 0.38
KCNH2 Q12809 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.35
PDE2A O00408 1/20 0.34
DHODH Q02127 1/20 0.34
MCHR1 Q99705 2/20 0.33
KIF11 P52732 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NPY5R Q15761 1/20 0.33
CHRM1 P11229 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL14927285 0.99 FABP4 (0.48) FABP4FABP5NPBWR1ESR1DGAT1
SCHEMBL14927305 0.86 FABP4 (0.44) FABP4FABP5IDO1CYP11B2
SCHEMBL14917398 0.84 FABP4 (0.52) FABP4FABP5ESR1TDP1L3MBTL1
SCHEMBL14916921 0.82 FABP4 (0.53) FABP4FABP5ESR1TDP1L3MBTL1
SCHEMBL14916889 0.82 FABP4 (0.66) FABP4FABP5ESR1TDP1L3MBTL1
SCHEMBL14927271 0.81 FABP4 (0.47) FABP4FABP5TDP1L3MBTL1CYP11B1
SCHEMBL14916284 0.81 FABP4 (0.67) FABP4FABP5ESR1TDP1L3MBTL1
SCHEMBL14916566 0.81 FABP4 (0.49) FABP4FABP5NPBWR1ESR1DGAT1
SCHEMBL14927295 0.80 FABP4 (0.49) FABP4FABP5TDP1L3MBTL1CYP11B1
SCHEMBL14916701 0.79 FABP4 (0.70) FABP4FABP5NPBWR1ESR1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
EP-2773619-B1 NEW ARYL-QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP disclosed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 US disclosed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 US disclosed
US-9199938-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2015-12-01 US disclosed
US-9199938-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2015-12-01 US disclosed
WO-2013064465-A1 NEW ARYL-QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US 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-20130116234-A1 ARYL-QUINOLINE DERIVATIVES FABP1, FABP4, FABP5 FABP4 2/4885FABP5 3/4885NPBWR1 922/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 FABP4 2/4885FABP5 3/4885NPBWR1 858/4885

“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.