SCHEMBL190021

SCHEMBL190021

CS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cccc5[nH]ncc45)nc3s2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 1.00
PIK3CB P42338 11/20 1.00
PIK3CD O00329 14/20 0.79
PIK3CG P48736 7/20 0.79
PIK3R1 P27986 4/20 0.79
KCNH2 Q12809 2/20 0.79
PIK3C2A O00443 1/20 0.79
PLK4 O00444 1/20 0.79
PIK3R2 O00459 1/20 0.79
PIK3C2B O00750 1/20 0.79
GAK O14976 1/20 0.79
EPHB6 O15197 1/20 0.79
DAPK3 O43293 1/20 0.79
STK16 O75716 1/20 0.79
PIK3C2G O75747 1/20 0.79
NTRK1 P04629 1/20 0.79
NQO2 P16083 1/20 0.79
CSNK2A2 P19784 1/20 0.79
JAK1 P23458 1/20 0.79
TYK2 P29597 1/20 0.79

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
SCHEMBL190339 0.97 PIK3CA (0.94) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL190185 0.92 PIK3CA (0.84) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL190186 0.91 PIK3CA (0.83) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL190182 0.90 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL190243 0.90 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL1856623 0.90 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL189544 0.89 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL2575700 0.89 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL2575702 0.89 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL189946 0.89 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802670-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-08-12 US claimed
EP-2402347-A1 Pharmaceutical compounds F. Hoffmann-La Roche AG (CH) 2012-01-04 EP claimed
EP-2041139-B1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-11-09 EP claimed
EP-2205242-A2 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE Genentech, Inc. (US) 2010-07-14 EP claimed
US-20090098135-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. 2009-04-16 US claimed
WO-2009036082-A2 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2009-03-19 WO claimed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 US claimed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 US disclosed
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 US disclosed
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 US disclosed
US-20170002313-A1 COMPOSITIONS AND METHODS OF OBTAINING AND USING ENDODERM AND HEPATOCYTE CELLS GENENTECH, INC. 2017-01-05 US disclosed
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 US disclosed
US-20090098135-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. 2009-04-16 US disclosed
WO-2009036082-A2 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2009-03-19 WO disclosed
WO-2009036082-A2 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2009-03-19 WO disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 US disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 US disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 US disclosed
WO-2007127175-A2 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 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 (4 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-20090098135-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885PIK3CB 4/4885PIK3CD 2/4885
US-20170002313-A1 COMPOSITIONS AND METHODS OF OBTAINING AND USING ENDODERM AND HEPATOCYTE CELLS ALPG, HNF4A, ALPI PIK3CA 678/4885PIK3CB 698/4885PIK3CD 882/4885
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CB 3/4885PIK3CD 2/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885PIK3CB 4/4885PIK3CD 2/4885

“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.