SCHEMBL4433857

SCHEMBL4433857

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.57
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
MAPK1 P28482 2/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
MTOR P42345 6/20 0.51
PIK3CA P42336 5/20 0.51
PIK3C2B O00750 3/20 0.51
CNR2 P34972 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
KMT2A Q03164 1/20 0.48
PIK3CB P42338 1/20 0.47
BRAF P15056 1/20 0.47
PIK3R1 P27986 2/20 0.44
NQO2 P16083 1/20 0.44
ATR Q13535 1/20 0.43

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
SCHEMBL5109688 0.85 PRKDC (0.57) PRKDCMTORPIK3CAPIK3C2BMEN1
SCHEMBL4437427 0.84 PIK3CA (0.53) PRKDCKDM4EALDH1A1HPGDMAPK1
SCHEMBL4439820 0.84 PIK3CA (0.70) PRKDCKDM4EALDH1A1HPGDMAPK1
SCHEMBL4439748 0.84 KDM4E (0.61) PRKDCKDM4EALDH1A1HPGDMAPK1
SCHEMBL1192386 0.83 MTOR (0.51) PRKDCKDM4EALDH1A1MTORPIK3CA
SCHEMBL14034101 0.83 ALDH1A1 (0.74) PRKDCKDM4EALDH1A1HPGDMAPK1
SCHEMBL1858095 0.80 PIK3CA (0.58) PRKDCMTORPIK3CAPIK3CB
SCHEMBL4433844 0.80 PIK3CA (0.70) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL4445513 0.79 PIK3CA (0.58) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL4555862 0.78 BRAF (0.51) PRKDCKDM4EALDH1A1MTORPIK3CA

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 5 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
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
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 PRKDC 359/4885KDM4E 3769/4885ALDH1A1 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.