SCHEMBL14916151

SCHEMBL14916151

N#Cc1c(N2CCCC2=O)nc2ccc(Cl)cc2c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 8/20 0.49
FABP3 P05413 7/20 0.49
FABP5 Q01469 7/20 0.49
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
KDM4E B2RXH2 6/20 0.45
ADORA2A P29274 4/20 0.45
HPGD P15428 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ADRA2A P08913 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.41
PDE10A Q9Y233 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL14916882 0.97 FABP4 (0.51) FABP4FABP3FABP5CYP2D6CYP2C9
SCHEMBL14917285 0.82 FABP4 (0.64) FABP4FABP3FABP5CYP2D6CYP2C9
SCHEMBL14917232 0.82 FABP4 (0.70) FABP4FABP3FABP5CYP2D6CYP2C9
SCHEMBL14916445 0.81 FABP4 (0.65) FABP4FABP3FABP5CYP2D6CYP2C9
SCHEMBL18222162 0.80 FABP4 (0.53) FABP4FABP3FABP5CYP2D6CYP2C9
SCHEMBL14917308 0.78 FABP4 (0.72) FABP4FABP3FABP5CYP2D6CYP2C9
SCHEMBL14927306 0.78 FABP4 (0.49) FABP4FABP3FABP5CYP2D6CYP2C9
SCHEMBL14916924 0.76 FABP4 (0.46) FABP4FABP3FABP5CYP2D6CYP2C9
SCHEMBL14917297 0.76 FABP4 (0.53) FABP4FABP3FABP5CYP2C9KDM4E
SCHEMBL3319793 0.76 ADORA2A (0.56) FABP4FABP3KDM4EADORA2AHPGD

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 16 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
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-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
US-9199938-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2015-12-01 US disclosed
EP-2773619-A1 NEW ARYL-QUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
WO-2013064465-A1 NEW ARYL-QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO 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
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 2/4885FABP3 4/4885FABP5 3/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 FABP4 2/4885FABP3 5/4885FABP5 3/4885

“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.