SCHEMBL4440965

SCHEMBL4440965

CS(=O)(=O)c1cccc(-c2csc3c(N4CCOCC4)nc(Cl)nc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
MTOR P42345 2/20 0.51
PIK3CA P42336 5/20 0.48
PIK3CG P48736 3/20 0.48
PIK3CB P42338 3/20 0.47
ATR Q13535 1/20 0.44
ATRIP Q8WXE1 1/20 0.44
JAK2 O60674 3/20 0.44
JAK3 P52333 3/20 0.44
PIK3CD O00329 2/20 0.43
PTK2 Q05397 4/20 0.43
HTR6 P50406 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR119 Q8TDV5 3/20 0.41

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
SCHEMBL4441453 0.86 PTK2 (0.58) HTR2CMTORPIK3CAPIK3CGJAK3
SCHEMBL4447740 0.84 MTOR (0.73) MTORPIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL4435238 0.82 HTR2C (0.74) HTR2CMTORPIK3CAPIK3CGPIK3CB
SCHEMBL1859486 0.82 MTOR (0.71) MTORPIK3CAPIK3CGPIK3CBATR
SCHEMBL1859483 0.82 MTOR (0.71) MTORPIK3CAPIK3CGPIK3CBATR
SCHEMBL4440815 0.80 MTOR (0.70) MTORPIK3CAPIK3CGPIK3CBJAK2
SCHEMBL1192052 0.80 PIK3CA (0.49) MTORPIK3CAPIK3CGPIK3CBATR
SCHEMBL4441568 0.78 HTR2C (0.58) HTR2CMTORPIK3CAPIK3CGPIK3CB
SCHEMBL15454220 0.76 PIK3CA (0.48) MTORPIK3CAPIK3CGPIK3CBATR
SCHEMBL2724756 0.76 PIK3CA (0.51) MTORPIK3CAPIK3CGPIK3CBATR

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 HTR2C 2012/4885MTOR 11/4885PIK3CA 1/4885

“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.