SCHEMBL14917308

SCHEMBL14917308

O=C1CCCN1c1nc2ccc(Cl)cc2c(-c2ccccc2)c1-c1nn[nH]n1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 11/20 0.72
FABP5 Q01469 11/20 0.72
FABP3 P05413 5/20 0.72
CYP2D6 P10635 3/20 0.72
CYP2C9 P11712 3/20 0.72
CYP3A4 P08684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.39
PDE10A Q9Y233 1/20 0.39
IDO1 P14902 1/20 0.39
CDC7 O00311 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
SCHEMBL14917217 0.97 FABP4 (0.74) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL25334225 0.84 FABP4 (1.00) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14927306 0.83 FABP4 (0.49) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14927296 0.80 FABP4 (0.51) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14917232 0.79 FABP4 (0.70) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14916151 0.78 FABP4 (0.49) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL18222162 0.77 FABP4 (0.53) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14916882 0.75 FABP4 (0.51) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14917297 0.73 FABP4 (0.53) FABP4FABP5FABP3CYP2C9NPSR1
SCHEMBL14916244 0.71 FABP4 (1.00) FABP4FABP5FABP3CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773619-B1 NEW ARYL-QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP claimed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 US claimed
US-9199938-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2015-12-01 US claimed
EP-2773619-A1 NEW ARYL-QUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP claimed
WO-2013064465-A1 NEW ARYL-QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO claimed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US claimed
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-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
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 3/4885FABP3 4/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 FABP4 2/4885FABP5 3/4885FABP3 5/4885

“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.