SCHEMBL14239809

SCHEMBL14239809

CC1CCc2nc3cc(/C=C/c4cc(C#N)ccn4)ccc3c(=O)n2CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MAPT P10636 2/20 0.32
CYP2C19 P33261 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
BCHE P06276 1/20 0.32
CFTR P13569 1/20 0.32
ALOX15 P16050 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL18037016 1.00 TDP1 (0.39) TDP1L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL15834973 0.87 SMN1; SMN2 (0.40) TDP1L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14240000 0.86 ALDH1A1 (0.40) TDP1L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL6922753 0.85 NPC1 (0.43) TDP1L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL9994743 0.85 NPC1 (0.43) TDP1L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL6921480 0.83 L3MBTL1 (0.38) TDP1L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL15818150 0.82 TDP1 (0.37) TDP1L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL14239806 0.82 TDP1 (0.37) TDP1L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL14239124 0.82 TDP1 (0.41) TDP1L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL15816798 0.81 TDP1 (0.38) TDP1L3MBTL1ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-05-05 US disclosed
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-05-09 US disclosed
US-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-20160251359-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2016-09-01 US disclosed
US-9260452-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-02-16 US disclosed
US-9260452-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-02-16 US disclosed
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 US disclosed
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 US disclosed
WO-2012170845-A2 METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF HEFFERNAN MICHELE L R (US) 2012-12-13 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 (6 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-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 TDP1 3830/4885L3MBTL1 3852/4885ALDH1A1 2952/4885
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 TDP1 3830/4885L3MBTL1 3852/4885ALDH1A1 2952/4885
US-20160251359-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 TDP1 3726/4885L3MBTL1 3739/4885ALDH1A1 2494/4885
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 TDP1 3830/4885L3MBTL1 3852/4885ALDH1A1 2952/4885
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 TDP1 3830/4885L3MBTL1 3852/4885ALDH1A1 2952/4885
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 TDP1 3726/4885L3MBTL1 3739/4885ALDH1A1 2494/4885

“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.