SCHEMBL189677

SCHEMBL189677

C[C@@H]1CN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)C[C@H](C)N1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.50
PIK3R1 P27986 5/20 0.50
MTOR P42345 2/20 0.49
PIK3CD O00329 12/20 0.46
PIK3CB P42338 8/20 0.46
PIK3CG P48736 8/20 0.46

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
SCHEMBL3624700 1.00 PIK3CA (0.50) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL996585 0.87 PIK3CA (0.47) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL994371 0.86 PIK3CA (0.51) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1088049 0.85 PIK3CA (0.58) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL2674465 0.85 PIK3CD (0.51) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1088042 0.84 PIK3CA (0.51) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL3622005 0.83 PIK3CA (0.56) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL4900273 0.83 PIK3CA (0.58) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL189736 0.83 PIK3CA (0.53) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL190232 0.83 PIK3CA (0.63) PIK3CAPIK3R1MTORPIK3CDPIK3CB

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 21 patents — showing the first 20. 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
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-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US disclosed
US-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US disclosed
US-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US disclosed
US-20120283257-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 US disclosed
US-20120283257-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 US disclosed
US-20120283257-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 US disclosed
US-8252792-B2 Pyrimidine derivatives as PI3K inhibitors F. HOFFMAN-LA ROCHE AG (CH) 2012-08-28 US disclosed
US-8252792-B2 Pyrimidine derivatives as PI3K inhibitors F. HOFFMAN-LA ROCHE AG (CH) 2012-08-28 US 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-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US disclosed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US disclosed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US disclosed
EP-2041139-A2 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-01 EP 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 (5 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-20120283257-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, PIK3R5 PIK3CA 1/4885PIK3R1 4/4885MTOR 36/4885
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 1/4885PIK3R1 15/4885MTOR 37/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885PIK3R1 19/4885MTOR 17/4885
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3R1 4/4885MTOR 38/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885PIK3R1 19/4885MTOR 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.