SCHEMBL4435282

SCHEMBL4435282

CNc1ccc(-c2nc(N3CCOCC3)c3sc(C4(OC)COC4)cc3n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC3 O15379 2/20 0.55
PIK3CA P42336 17/20 0.50
MTOR P42345 10/20 0.50
PIK3CD O00329 10/20 0.47
PIK3CB P42338 10/20 0.47
HDAC6 Q9UBN7 2/20 0.47
PIK3CG P48736 9/20 0.46
SYK P43405 1/20 0.46
MAP3K9 P80192 1/20 0.46
PIK3R1 P27986 1/20 0.45
HDAC4 P56524 1/20 0.45
PRKDC P78527 1/20 0.45
KCNH2 Q12809 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL4440964 0.89 PIK3CA (0.54) HDAC1HDAC2HDAC10HDAC11HDAC3
SCHEMBL4439768 0.85 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4436867 0.80 PIK3CA (0.71) HDAC1HDAC2HDAC10HDAC11HDAC3
SCHEMBL4438796 0.78 SMN1; SMN2 (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1181088 0.77 HDAC3 (0.60) HDAC1HDAC2HDAC10HDAC11HDAC3
SCHEMBL4441527 0.74 MTOR (0.77) HDAC1HDAC2HDAC10HDAC11HDAC3
SCHEMBL1181613 0.74 PIK3CA (0.79) HDAC1HDAC2HDAC10HDAC11HDAC3
SCHEMBL1620625 0.73 HDAC1 (0.71) HDAC1HDAC2HDAC10HDAC11HDAC3
SCHEMBL1622569 0.72 HDAC1 (0.78) HDAC1HDAC2HDAC10HDAC11HDAC3
SCHEMBL28672556 0.72 HDAC1 (0.86) HDAC1HDAC2HDAC10HDAC11HDAC3

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
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US claimed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP claimed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US claimed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 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 (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-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA HDAC1 485/4885HDAC2 975/4885HDAC10 798/4885

“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.