SCHEMBL190735

SCHEMBL190735

C[C@H](O)C(=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)[C@@H](C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.47
PIK3CA P42336 19/20 0.45
MTOR P42345 7/20 0.45
PIK3R1 P27986 7/20 0.44
PIK3CB P42338 11/20 0.40
PIK3CG P48736 11/20 0.40
PIK3C2A O00443 1/20 0.40
PIK3C2B O00750 1/20 0.40
STK10 O94804 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
FGR P09769 1/20 0.40
FER P16591 1/20 0.40
PRKCA P17252 1/20 0.40
JAK1 P23458 1/20 0.40
TEC P42680 1/20 0.40
SYK P43405 1/20 0.40
PRKDC P78527 1/20 0.40
MAP3K9 P80192 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
SCHEMBL190736 1.00 PIK3CD (0.47) PIK3CDPIK3CAMTORPIK3R1PIK3CB
SCHEMBL1180179 0.86 PIK3CA (0.55) PIK3CDPIK3CAMTORPIK3R1PIK3CB
SCHEMBL1181078 0.86 PIK3CA (0.55) PIK3CDPIK3CAMTORPIK3R1PIK3CB
SCHEMBL1180526 0.82 PIK3CA (0.58) PIK3CDPIK3CAMTORPIK3R1PIK3CB
SCHEMBL1180523 0.82 PIK3CA (0.58) PIK3CDPIK3CAMTORPIK3R1PIK3CB
SCHEMBL190700 0.80 PIK3CA (0.64) PIK3CDPIK3CAMTORPIK3R1PIK3CB
SCHEMBL190699 0.80 PIK3CA (0.64) PIK3CDPIK3CAMTORPIK3R1PIK3CB
SCHEMBL1088548 0.77 PIK3CD (0.48) PIK3CDPIK3CAMTORPIK3R1PIK3CB
SCHEMBL1181410 0.77 PIK3CA (0.53) PIK3CDPIK3CAMTORPIK3R1PIK3CB
SCHEMBL389705 0.77 PIK3CA (0.55) PIK3CDPIK3CAMTORPIK3R1PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 US disclosed
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 US disclosed
EP-2518074-B1 Phosphoinositide 3-kinase inhibitor compounds and methods of use HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
US-8993563-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-31 US disclosed
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-16 US disclosed
US-8802670-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-08-12 US disclosed
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-05-23 US disclosed
US-8383620-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-02-26 US disclosed
EP-2518074-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
EP-2402347-A1 Pharmaceutical compounds F. Hoffmann-La Roche AG (CH) 2012-01-04 EP disclosed
EP-2041139-B1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-11-09 EP disclosed
US-20110097349-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-04-28 US disclosed
US-7888352-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIRAMED LIMITED (GB) 2011-02-15 US disclosed
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-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 PIK3CD 2/4885PIK3CA 1/4885MTOR 37/4885
US-20110097349-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CD 5/4885PIK3CA 1/4885MTOR 11/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CD 2/4885PIK3CA 1/4885MTOR 17/4885
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; PI4KA, DMPK, PDPK1 PIK3CD 11/4885PIK3CA 9/4885MTOR 8/4885
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CD 5/4885PIK3CA 1/4885MTOR 11/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CD 2/4885PIK3CA 1/4885MTOR 17/4885

“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.