SCHEMBL609631

SCHEMBL609631

CCOCCOc1ncc(Br)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.38
MAPT P10636 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
PIK3CA P42336 2/20 0.35
MTOR P42345 1/20 0.35
EHMT2 Q96KQ7 1/20 0.34
NCF1 P14598 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM5 P41594 1/20 0.34
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PIK3CG P48736 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
SCHEMBL612880 0.89 L3MBTL1 (0.40) L3MBTL1MAPTTDP1PIK3CAMTOR
SCHEMBL612650 0.88 L3MBTL1 (0.40) L3MBTL1MAPTTDP1PIK3CAMTOR
SCHEMBL611785 0.85 PIK3CA (0.37) L3MBTL1MAPTTDP1PIK3CAMTOR
SCHEMBL188553 0.85 ALDH1A1 (0.39) L3MBTL1MAPTPIK3CAMTORSMN1; SMN2
SCHEMBL188631 0.85 SMN1; SMN2 (0.41) MAPTPIK3CAMTORSMN1; SMN2GRM5
SCHEMBL29611762 0.77 PIK3CA (0.49) MAPTPIK3CAMTORSMN1; SMN2ALDH1A1
SCHEMBL8916 0.77 PIK3CA (0.49) MAPTPIK3CAMTORSMN1; SMN2ALDH1A1
SCHEMBL21513351 0.77 CYP1A2 (0.47) TDP1ALDH1A1LMNAKDM4E
SCHEMBL29969817 0.77 CYP1A2 (0.47) TDP1ALDH1A1LMNAKDM4E
SCHEMBL189054 0.76 GRM5 (0.42) L3MBTL1MAPTTDP1SMN1; SMN2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808739-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2021-04-21 EP disclosed
EP-3309152-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2020-09-09 EP disclosed
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-01-22 US disclosed
EP-3309152-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2018-04-18 EP disclosed
EP-2516417-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2017-10-11 EP disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 US disclosed
US-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 US disclosed
EP-2516417-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2012-10-31 EP disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
WO-2011087776-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 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 (5 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-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 L3MBTL1 4032/4885MAPT 2239/4885TDP1 975/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 L3MBTL1 4032/4885MAPT 2239/4885TDP1 975/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 L3MBTL1 4032/4885MAPT 2239/4885TDP1 975/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 L3MBTL1 4032/4885MAPT 2239/4885TDP1 975/4885
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase PIK3CD, PIK3CA, PIK3R5 L3MBTL1 4032/4885MAPT 2239/4885TDP1 975/4885

“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.