SCHEMBL190233

SCHEMBL190233

Cc1nc2cc(-c3nc(N4CCOCC4)c4cc(CN5CCNCC5)sc4n3)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.52
PIK3CB P42338 8/20 0.52
ADORA2A P29274 9/20 0.45
ADORA1 P30542 7/20 0.45
PIK3CD O00329 3/20 0.41
PIK3CG P48736 2/20 0.40
MTOR P42345 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
SCHEMBL190240 0.88 PIK3CA (0.66) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1182101 0.79 PIK3CA (0.60) PIK3CAPIK3CBADORA2AADORA1PIK3CD
SCHEMBL190764 0.78 PIK3CA (0.58) PIK3CAPIK3CBADORA2AADORA1MTOR
SCHEMBL1181281 0.77 PIK3CA (0.65) PIK3CAPIK3CBADORA2AADORA1PIK3CD
SCHEMBL1181784 0.77 PIK3CA (0.57) PIK3CAPIK3CBADORA2AADORA1PIK3CD
SCHEMBL189984 0.76 PIK3CA (0.72) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL4901940 0.75 PIK3CA (0.57) PIK3CAPIK3CBADORA2AADORA1MTOR
SCHEMBL190430 0.75 PIK3CA (0.68) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL190250 0.75 PIK3CA (0.50) PIK3CAPIK3CBADORA2AADORA1
SCHEMBL3610045 0.75 PIK3CD (0.63) PIK3CAPIK3CBADORA2AADORA1PIK3CD

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 7 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
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 3/4885ADORA2A 3541/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885PIK3CB 4/4885ADORA2A 3390/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885PIK3CB 4/4885ADORA2A 3390/4885

“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.