SCHEMBL189205

SCHEMBL189205

COc1ncc(Br)cc1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.37
MTOR P42345 1/20 0.37
MET P08581 1/20 0.36
GRIN1 Q05586 5/20 0.35
GRIN2B Q13224 5/20 0.35
RXRA P19793 5/20 0.35
CSF1R P07333 1/20 0.33
PIK3R1 P27986 1/20 0.33
SCN9A Q15858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL16648664 0.87 RXRA (0.34) METGRIN1GRIN2BRXRAL3MBTL1
SCHEMBL189548 0.84 PIK3CA (0.38) PIK3CAMTORMETPIK3R1DYRK1B
SCHEMBL29611762 0.81 PIK3CA (0.49) PIK3CAMTORMETSMN1; SMN2PIK3CD
SCHEMBL8916 0.81 PIK3CA (0.49) PIK3CAMTORMETSMN1; SMN2PIK3CD
SCHEMBL11918256 0.81 GAA (0.39) PIK3CAGRIN1GRIN2BRXRAPIK3R1
SCHEMBL189556 0.80 PIK3CA (0.35) PIK3CAMTORMETGAA
SCHEMBL21585394 0.79 RXRA (0.38) METGRIN1GRIN2BRXRACSF1R
SCHEMBL10141674 0.78 GRIN1 (0.36) PIK3CAGRIN1GRIN2BRXRAPIK3R1
SCHEMBL30682103 0.77 RXRA (0.42) GRIN1GRIN2BRXRACSF1RPDE4B
SCHEMBL19446232 0.77 PTGS2 (0.38) GRIN1GRIN2BRXRAPDE4BMAPK1

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 45 patents — showing the first 20. 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
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-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 US 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-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
EP-2401273-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2012-01-04 EP disclosed
EP-2398810-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2011-12-28 EP disclosed
WO-2011087776-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 WO disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 WO disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 WO disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 WO disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 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-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIK3CG PIK3CA 1/4885MTOR 29/4885MET 2466/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 PIK3CA 2/4885MTOR 36/4885MET 2530/4885
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase PIK3CD, PIK3CA, PIK3R5 PIK3CA 2/4885MTOR 36/4885MET 2530/4885

“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.