SCHEMBL359707

SCHEMBL359707

Cn1c(OC2CCN(C3CCOCC3)CC2)nc2c(N3CCOCC3)nc(-c3c(F)ccc4[nH]ccc34)nc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.51
PIK3CA P42336 7/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 1/20 0.48
CYP3A4 P08684 3/20 0.47
TNF P01375 1/20 0.46
PIK3R1 P27986 4/20 0.46
MTOR P42345 5/20 0.41
PRKDC P78527 3/20 0.41
CREBBP Q92793 1/20 0.38
ATR Q13535 1/20 0.37

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
SCHEMBL357715 0.82 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL371276 0.80 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL2397011 0.79 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL2395019 0.76 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL2394674 0.75 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL358089 0.75 TNF (0.48) PIK3CDPIK3CATNF
SCHEMBL2392907 0.74 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL2396220 0.73 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL2395619 0.73 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL2395972 0.73 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US claimed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US claimed
EP-2593455-B1 PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-03-18 EP disclosed
EP-2593455-A1 PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
WO-2012007493-A1 PURINE COMPOUNDS SELECTIVE FOR ΡI3Κ P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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 (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-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PIK3CD 2/4885PIK3CA 1/4885PIK3CB 5/4885

“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.