SCHEMBL1854071

SCHEMBL1854071

COc1cc(Cl)cc(I)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ERN1 O75460 1/20 0.38
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
PMP22 Q01453 2/20 0.36
LMNA P02545 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
EP300 Q09472 1/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35

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
SCHEMBL8709585 0.84 GAA (0.48) GAANPC1MAPTNPSR1ERN1
SCHEMBL16198301 0.78 GAA (0.48) GAANPC1MAPTNPSR1ERN1
SCHEMBL4401042 0.78 GAA (0.48) GAANPC1MAPTNPSR1ERN1
SCHEMBL2084949 0.77 MAP3K14 (0.44) GAANPC1MAPTNPSR1ERN1
SCHEMBL11129317 0.77 CYP3A4 (0.45) GAACYP3A4TSHRALDH1A1HSD17B10
SCHEMBL30254383 0.75 MAPT (0.53) GAANPC1MAPTNPSR1ERN1
SCHEMBL16047636 0.75 MAPT (0.53) GAANPC1MAPTNPSR1ERN1
SCHEMBL1853469 0.75 GRIN2B (0.31)
SCHEMBL31648846 0.75 CA1 (0.30)
SCHEMBL4343172 0.74 TRPV4 (0.50) LMNATRPV4HSP90AA1HSP90AB1ALDH1A1

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 21 patents — showing the first 20. 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
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
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 WO 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 (3 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 GAA 3268/4885NPC1 317/4885MAPT 4286/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 GAA 3278/4885NPC1 411/4885MAPT 4259/4885
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA GAA 1760/4885NPC1 4045/4885MAPT 955/4885

“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.