SCHEMBL3626327

SCHEMBL3626327

CC(C)[C@@H]1CN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.44
PIK3R1 P27986 2/20 0.44
PIK3CD O00329 18/20 0.44
PIK3CB P42338 16/20 0.44
PIK3CG P48736 16/20 0.44
MTOR P42345 1/20 0.42

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
SCHEMBL3616540 1.00 PIK3CA (0.44) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL3616535 1.00 PIK3CA (0.44) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL466290 0.86 PIK3CD (0.52) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL996140 0.84 PIK3CD (0.47) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL994553 0.84 PIK3CD (0.48) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL994547 0.83 PIK3CD (0.46) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL13506516 0.81 PIK3CA (0.47) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1088548 0.81 PIK3CD (0.48) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1497337 0.80 RECQL (0.48) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL994312 0.80 PIK3CD (0.47) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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-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
US-8252792-B2 Pyrimidine derivatives as PI3K inhibitors F. HOFFMAN-LA ROCHE AG (CH) 2012-08-28 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
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US disclosed
WO-2007122410-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-01 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 (2 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 4/4885PIK3CD 2/4885
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3R1 4/4885PIK3CD 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.