SCHEMBL190403

SCHEMBL190403

CN1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cccc(CO)c4)nc3s2)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.66
PIK3CB P42338 4/20 0.66
PIK3CG P48736 4/20 0.60
PIK3CD O00329 3/20 0.60
MTOR P42345 7/20 0.56
ADORA2A P29274 4/20 0.53
ADORA1 P30542 3/20 0.53

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
SCHEMBL2738681 0.89 PIK3CA (0.77) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL190749 0.86 PIK3CA (0.80) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL1180697 0.81 PIK3CA (0.79) PIK3CAPIK3CBPIK3CGPIK3CDADORA2A
SCHEMBL16918921 0.80 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL5254007 0.79 PIK3CA (0.78) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL190292 0.78 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL189544 0.77 PIK3CA (0.81) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL2435066 0.77 PIK3CA (0.64) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1180637 0.77 PIK3CA (0.71) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL190119 0.77 PIK3CA (0.66) PIK3CAPIK3CBADORA2AADORA1

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 13 patents. 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-2041139-A2 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-01 EP 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-2007127175-A2 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-08 WO claimed
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
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 (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 1/4885PIK3CB 3/4885PIK3CG 4/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885PIK3CB 4/4885PIK3CG 7/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885PIK3CB 4/4885PIK3CG 7/4885

“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.