SCHEMBL189937

SCHEMBL189937

Cc1c(CN2CCNCC2)sc2c(N3CCOCC3)nc(-c3cnc4[nH]ccc4c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.55
MTOR P42345 11/20 0.55
PIK3CD O00329 10/20 0.55
PIK3CB P42338 10/20 0.55
PIK3CG P48736 10/20 0.55
RPTOR Q8N122 1/20 0.55
MLST8 Q9BVC4 1/20 0.55
PIK3C2A O00443 1/20 0.52
PIK3C2B O00750 1/20 0.52
STK10 O94804 1/20 0.52
PAK4 O96013 1/20 0.52
ABL1 P00519 1/20 0.52
EGFR P00533 1/20 0.52
FGR P09769 1/20 0.52
FER P16591 1/20 0.52
PRKCA P17252 1/20 0.52
JAK1 P23458 1/20 0.52
TEC P42680 1/20 0.52
SYK P43405 1/20 0.52
PRKDC P78527 1/20 0.52

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
SCHEMBL189371 0.86 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL190295 0.86 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL190296 0.86 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1181544 0.84 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1180144 0.84 PIK3CA (0.75) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1181497 0.84 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1181458 0.82 PIK3CA (0.62) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1181123 0.81 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1857295 0.81 MTOR (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4901940 0.80 PIK3CA (0.57) PIK3CAMTORPIK3CBPIK3R1

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 9 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
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
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
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 (3 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 PIK3CA 1/4885MTOR 37/4885PIK3CD 2/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885MTOR 17/4885PIK3CD 2/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885MTOR 17/4885PIK3CD 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.