SCHEMBL4439780

SCHEMBL4439780

O=C(CC1CN(c2nc(Cl)nc3ccsc23)CCO1)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.39
PIK3R1 P27986 2/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PRKDC P78527 2/20 0.36
ADORA2B P29275 5/20 0.35
ADORA2A P29274 3/20 0.35
MTOR P42345 3/20 0.35
PIK3CD O00329 1/20 0.35
PIK3C2B O00750 1/20 0.35
CCNE2 O96020 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35

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
SCHEMBL4445610 0.88 PIK3CA (0.42) PIK3CAPIK3R1ALDH1A1KDM4EPRKDC
SCHEMBL4433921 0.87 PIK3CA (0.41) PIK3CAPIK3R1ALDH1A1KDM4EPRKDC
SCHEMBL4433850 0.84 PIK3CA (0.45) PIK3CAPIK3R1KDM4EPDE4APDE4B
SCHEMBL4439940 0.82 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4439070 0.81 PIK3CA (0.45) PIK3CAPIK3R1KDM4EPDE4APDE4B
SCHEMBL4437531 0.81 PIK3CA (0.41) PIK3CAPIK3R1ALDH1A1KDM4EPRKDC
SCHEMBL4438275 0.78 PPARA (0.44) PIK3CAPIK3R1ALDH1A1PRKDCMTOR
SCHEMBL17555334 0.76 PIK3CA (0.51) PIK3CAPIK3R1KDM4EPDE4APDE4B
SCHEMBL4439702 0.76 PIK3CA (0.48) PIK3CAPIK3R1ALDH1A1TSHRKDM4E
SCHEMBL20589783 0.72 PDE4A (0.57) PIK3CAPIK3R1ALDH1A1TSHRKDM4E

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 10 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 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 PIK3CA 1/4885PIK3R1 16/4885ALDH1A1 4026/4885

“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.