SCHEMBL14916692

SCHEMBL14916692

N#Cc1c(C2CCCCC2)nc2cc(F)c(Cl)cc2c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 4/20 0.43
FABP5 Q01469 4/20 0.43
GRM5 P41594 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.37
NRP1 O14786 1/20 0.36
ADORA2A P29274 4/20 0.36
ADORA1 P30542 2/20 0.36
PRKAA2 P54646 1/20 0.35
CXCR2 P25025 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL14916989 0.99 FABP4 (0.42) FABP4FABP5GRM5TDP1L3MBTL1
SCHEMBL14916294 0.84 FABP4 (0.57) FABP4FABP5GRM5TDP1L3MBTL1
SCHEMBL14916539 0.81 FABP4 (0.58) FABP4FABP5GRM5ADORA2AADORA1
SCHEMBL14916710 0.80 FABP4 (0.43) FABP4FABP5GRM5TDP1L3MBTL1
SCHEMBL14916476 0.78 ESR1 (0.41) FABP4FABP5GRM5TDP1L3MBTL1
SCHEMBL27971124 0.78 FABP4 (0.44) FABP4FABP5TDP1L3MBTL1RAPGEF4
SCHEMBL14927295 0.77 FABP4 (0.49) FABP4FABP5TDP1L3MBTL1ADORA1
SCHEMBL14917038 0.77 FABP4 (0.68) FABP4FABP5TDP1L3MBTL1
SCHEMBL27970939 0.77 FABP4 (0.45) FABP4FABP5GRM5TDP1L3MBTL1
SCHEMBL14917236 0.76 FABP4 (0.66) FABP4FABP5TDP1L3MBTL1

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 18 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
CN-103906735-B Novel aryl-quinoline derivatives 霍夫曼-拉罗奇有限公司 2016-12-07 CN disclosed
EP-2773619-B1 NEW ARYL-QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP 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 2/4885FABP5 3/4885GRM5 2695/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 FABP4 2/4885FABP5 3/4885GRM5 2669/4885

“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.