SCHEMBL14916889

SCHEMBL14916889

FC(F)(F)c1ccc2nc(C3CCCC3)c(-c3nn[nH]n3)c(-c3ccccc3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 10/20 0.66
FABP5 Q01469 10/20 0.66
FABP3 P05413 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ESR1 P03372 1/20 0.40
DHODH Q02127 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37

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
SCHEMBL14916284 0.99 FABP4 (0.67) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14917132 0.86 FABP4 (0.60) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14927281 0.82 FABP4 (0.46) FABP4FABP5ESR1DHODHTDP1
SCHEMBL14927285 0.81 FABP4 (0.48) FABP4FABP5ESR1DHODHTDP1
SCHEMBL14917236 0.81 FABP4 (0.66) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14917038 0.80 FABP4 (0.68) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14916584 0.76 FABP4 (1.00) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14917338 0.76 FABP4 (0.69) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14916476 0.76 ESR1 (0.41) FABP4FABP5ESR1DHODHTDP1
SCHEMBL14916710 0.75 FABP4 (0.43) FABP4FABP5ESR1DHODHTDP1

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 15 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
CN-103906735-A Novel aryl-quinoline derivatives HOFFMANN LA ROCHE 2014-07-02 CN 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
CN-103906735-A Novel aryl-quinoline derivatives HOFFMANN LA ROCHE 2014-07-02 CN 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.