SCHEMBL15033946

SCHEMBL15033946

COc1ncc(C)cc1OC1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.49
SYK P43405 1/20 0.48
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PIK3R1 P27986 1/20 0.44

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
SCHEMBL15463222 0.86 SYK (0.46) PIK3CASYKPIK3R1
SCHEMBL612648 0.84 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL10141666 0.82 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL21190907 0.78 LRRK2 (0.42) PIK3CASYK
SCHEMBL10196382 0.74 SYK (0.67) PIK3CASYKPIK3R1
SCHEMBL10196332 0.73 SYK (0.50) PIK3CASYKPIK3R1
SCHEMBL10084731 0.73 ACHE (0.44) PIK3CAPIK3CDPIK3CG
SCHEMBL7362112 0.72 PDE4D (0.50)
SCHEMBL7358483 0.71 PDE4D (0.49) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL11918290 0.71 PDE4B (0.40) PIK3CAPIK3R1

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 6 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
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-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 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 (1 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-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 PIK3CA 2/4885SYK 1192/4885PIK3CD 1/4885

“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.