SCHEMBL14916129

SCHEMBL14916129

N#Cc1c(C2CCCC2)nc2ccc(C(F)(F)F)cc2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.39
MCHR1 Q99705 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
DHODH Q02127 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
NCOA1 Q15788 1/20 0.34
HIF1A Q16665 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
CSNK1D P48730 1/20 0.34
DGAT1 O75907 1/20 0.33

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
SCHEMBL14916134 0.86 KHK (0.37) KHKMCHR1SMN1; SMN2TP53MAPT
SCHEMBL14916476 0.83 ESR1 (0.41) KHKSMN1; SMN2MAPTDHODHKDM4E
SCHEMBL14916710 0.82 FABP4 (0.43) KHKSMN1; SMN2MAPTDHODHKDM4E
SCHEMBL28813996 0.80 ACMSD (0.39) KHKRAPGEF4LRRK2
SCHEMBL14916397 0.77 FABP4 (0.38) SMN1; SMN2DHODHLMNAPOLBHTT
SCHEMBL11834752 0.68 PTGDR2 (0.39) MCHR1PTGDR2CSNK1DDGAT1CCNE2
SCHEMBL28112248 0.68 EGFR (0.40) CTSSCTSKDGAT1KCNH2LRRK2
SCHEMBL9998112 0.67 KDM4E (0.44) SMN1; SMN2DHODHKDM4ECTSSLMNA
SCHEMBL28707993 0.66 GAK (0.44) MCHR1PTGDR2CSNK1DCCNE2CCNA2
SCHEMBL27970939 0.65 FABP4 (0.45) SMN1; SMN2RAPGEF4ALDH1A1GAAHPGD

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 KHK 3566/4885MCHR1 3731/4885SMN1; SMN2 4858/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 KHK 3730/4885MCHR1 3789/4885SMN1; SMN2 4846/4885

“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.