SCHEMBL4437427

SCHEMBL4437427

CC(=O)Nc1cccc(-c2cc3c(N4CCOCC4)nc(-c4cccnc4)nc3s2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.53
PIK3CB P42338 1/20 0.53
PIK3C2B O00750 3/20 0.53
PRKDC P78527 1/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MTOR P42345 9/20 0.49
PIK3R1 P27986 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BRAF P15056 1/20 0.47
GBA1 P04062 1/20 0.47

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
SCHEMBL4439820 0.88 PIK3CA (0.70) PIK3CAPIK3CBPIK3C2BPRKDCALDH1A1
SCHEMBL14034099 0.85 ALDH1A1 (0.67) PIK3CAPIK3CBALDH1A1KDM4ELMNA
SCHEMBL4433857 0.84 PRKDC (0.57) PIK3CAPIK3CBPIK3C2BPRKDCALDH1A1
SCHEMBL1858095 0.83 PIK3CA (0.58) PIK3CAPIK3CBPRKDCMTOR
SCHEMBL1182166 0.79 ALDH1A1 (0.61) PIK3CAPIK3CBALDH1A1KDM4ELMNA
SCHEMBL4437621 0.77 PIK3CA (0.53) PIK3CAPIK3CBALDH1A1KDM4EHSD17B10
SCHEMBL30341744 0.76 PIK3CA (0.53) PIK3CAPIK3CBALDH1A1MTORPIK3R1
SCHEMBL4437564 0.75 PIK3CA (0.60) PIK3CAPIK3CBPIK3C2BPRKDCMTOR
SCHEMBL30341647 0.75 PIK3CA (0.59) PIK3CAPIK3CBALDH1A1KDM4EMTOR
SCHEMBL4439761 0.74 MTOR (0.70) PIK3CAPIK3CBPIK3C2BMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101675053-B Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH INC 2014-03-12 CN claimed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 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
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO 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-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
CN-101675053-B Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH INC 2014-03-12 CN 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 1/4885PIK3CB 15/4885PIK3C2B 13/4885

“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.