SCHEMBL4447055

SCHEMBL4447055

Cc1c(-c2cccc(C=O)c2)sc2c(N3CCOCC3)nc(Cl)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.51
PIK3CA P42336 9/20 0.48
PRKDC P78527 1/20 0.41
PIKFYVE Q9Y2I7 3/20 0.40
PIK3R1 P27986 1/20 0.40
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PARP1 P09874 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
RPTOR Q8N122 1/20 0.35
MLST8 Q9BVC4 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
SCHEMBL4433784 0.85 PIK3CA (0.56) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL5109178 0.85 MTOR (0.56) MTORPIK3CAPRKDCPIK3R1ALDH1A1
SCHEMBL4446855 0.84 MTOR (0.44) MTORPIK3CAPIK3R1MAPK1PIK3CD
SCHEMBL1859486 0.84 MTOR (0.71) MTORPIK3CAPIK3R1ALDH1A1KDM4E
SCHEMBL1866732 0.84 PIK3CA (0.57) MTORPIK3CAPRKDCPIK3R1ALDH1A1
SCHEMBL1859483 0.84 MTOR (0.71) MTORPIK3CAPIK3R1ALDH1A1KDM4E
SCHEMBL27943089 0.83 MTOR (0.50) MTORPIK3CAPIKFYVEPIK3R1ALDH1A1
SCHEMBL17571356 0.83 MTOR (0.75) MTORPIK3CAPRKDCPARP1PIK3CD
SCHEMBL4446558 0.80 PIK3CA (0.49) MTORPIK3CAALDH1A1KDM4ETSHR
SCHEMBL4433918 0.80 MTOR (0.49) MTORPIK3CAPIK3R1KDM4ETSHR

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 MTOR 11/4885PIK3CA 1/4885PRKDC 359/4885

“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.