SCHEMBL4440935

SCHEMBL4440935

CS(=O)(=O)Nc1cccc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.56
CYP3A4 P08684 4/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.56
RECQL P46063 1/20 0.56
MTOR P42345 5/20 0.56
MAPK1 P28482 2/20 0.54
USP2 O75604 1/20 0.54
HIF1A Q16665 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
PIK3CA P42336 9/20 0.51
PIK3CG P48736 4/20 0.51
PIKFYVE Q9Y2I7 1/20 0.46
PTK2 Q05397 1/20 0.45
PIK3R1 P27986 1/20 0.45
CYP2D6 P10635 2/20 0.44
NPY5R Q15761 1/20 0.43
PIK3CD O00329 3/20 0.43
PIK3CB P42338 3/20 0.43
MEN1 O00255 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
SCHEMBL4441909 0.92 MTOR (0.51) CYP1A2CYP3A4LMNATSHRRECQL
SCHEMBL12629675 0.90 MTOR (0.49) CYP1A2CYP3A4LMNATSHRRECQL
SCHEMBL4440815 0.86 MTOR (0.70) LMNATSHRMTORMAPK1PIK3CA
SCHEMBL5109688 0.85 PRKDC (0.57) MTORPIK3CAPIKFYVEPIK3R1NPY5R
SCHEMBL4439757 0.85 MTOR (0.53) MTORPIK3CAPIK3CGPIKFYVEPIK3R1
SCHEMBL4445331 0.84 MTOR (0.79) CYP1A2CYP3A4LMNATSHRRECQL
SCHEMBL4436102 0.83 MTOR (0.53) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL4446958 0.83 MTOR (0.69) CYP1A2CYP3A4LMNATSHRRECQL
SCHEMBL14034104 0.83 NPY5R (0.57) LMNATSHRMTORMAPK1USP2
SCHEMBL1867411 0.82 MTOR (0.47) MTORPIK3CAPIKFYVEPIK3R1NPY5R

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 CYP1A2 1380/4885CYP3A4 1493/4885LMNA 1065/4885

“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.