SCHEMBL960435

SCHEMBL960435

CN1CCCN(Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.95

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.95
PIK3CB P42338 11/20 0.76
PIK3CG P48736 11/20 0.76
PIK3CD O00329 11/20 0.76
MTOR P42345 1/20 0.63
PIK3C2B O00750 1/20 0.62
CCNE2 O96020 1/20 0.62
PRKACA P17612 1/20 0.62
PRKACG P22612 1/20 0.62
PRKACB P22694 1/20 0.62
CCNE1 P24864 1/20 0.62
CDK2 P24941 1/20 0.62
KDR P35968 1/20 0.62

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
SCHEMBL960078 0.97 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL29439930 0.97 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL17255579 0.92 PIK3CA (0.83) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL964649 0.92 PIK3CA (0.86) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL960919 0.91 PIK3CA (0.87) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL958760 0.90 PIK3CA (0.86) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL959505 0.89 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL5303309 0.89 PIK3CA (0.84) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL960842 0.88 PIK3CA (0.82) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL960859 0.88 PIK3CA (0.82) PIK3CAPIK3CBPIK3CGPIK3CDMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812446-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-11-18 EP claimed
US-7872003-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2011-01-18 US claimed
US-20080207609-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US claimed
EP-1812446-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP claimed
WO-2006046040-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 WO claimed
EP-1812446-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-11-18 EP disclosed
US-7872003-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2011-01-18 US disclosed
US-20080207609-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
EP-1812446-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046040-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 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 (1 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-20080207609-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 PIK3CA 1/4885PIK3CB 14/4885PIK3CG 15/4885

“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.