SCHEMBL12629675

SCHEMBL12629675

CC(C)S(=O)(=O)Nc1cccc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.49
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
PIKFYVE Q9Y2I7 1/20 0.44
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
PIK3CA P42336 12/20 0.43
PIK3R1 P27986 4/20 0.43
AKT1 P31749 1/20 0.43
NPY5R Q15761 1/20 0.41
PIK3CG P48736 4/20 0.41
PIK3CD O00329 3/20 0.40
PIK3CB P42338 3/20 0.40
PIK3C2B O00750 1/20 0.40

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
SCHEMBL4440935 0.90 CYP1A2 (0.56) MTORLMNACYP1A2CYP3A4TSHR
SCHEMBL1867411 0.83 MTOR (0.47) MTORPIKFYVEPIK3CAPIK3R1NPY5R
SCHEMBL5109688 0.83 PRKDC (0.57) MTORPIKFYVEPIK3CAPIK3R1NPY5R
SCHEMBL19142325 0.82 MTOR (0.54) MTORLMNACYP1A2CYP3A4TSHR
SCHEMBL4440815 0.82 MTOR (0.70) MTORLMNATSHRPIKFYVEMAPK1
SCHEMBL4441909 0.82 MTOR (0.51) MTORLMNACYP1A2CYP3A4TSHR
SCHEMBL5108158 0.81 MTOR (0.54) MTORPIKFYVEPIK3CAPIK3R1NPY5R
SCHEMBL4564302 0.81 MTOR (0.54) MTORPIKFYVEPIK3CAPIK3R1NPY5R
SCHEMBL5108161 0.81 MTOR (0.54) MTORPIKFYVEPIK3CAPIK3R1NPY5R
SCHEMBL1861468 0.81 PIK3CA (0.63) MTORCLK4PIK3CAPIK3R1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046799-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH INC (US) 2017-07-19 EP disclosed
US-8450315-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-28 US disclosed
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-05-05 US disclosed
US-7846929-B2 Using 1-(4-((2-(aminopyrimidin-5-yl)-4-morpholinothieno(3,2-d)pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticancer agents ; antiinflammatory agents; antidiabetic agents GENENTECH, INC. (US) 2010-12-07 US disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 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 (2 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-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PIK3CB, PIK3C2B MTOR 86/4885LMNA 1146/4885CYP1A2 4386/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA MTOR 43/4885LMNA 952/4885CYP1A2 1817/4885

“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.