SCHEMBL1944409

SCHEMBL1944409

Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(Cc3cccnc3)CC2)cn1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.59
MTOR P42345 13/20 0.59
PIK3CG P48736 12/20 0.59
FLT3 P36888 3/20 0.49
PIK3R1 P27986 3/20 0.49
HDAC1 Q13547 1/20 0.44

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
SCHEMBL1569074 0.83 PIK3CA (0.60) PIK3CAMTORPIK3CGFLT3PIK3R1
SCHEMBL1568845 0.82 PIK3R1 (0.51) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL1568883 0.82 PIK3CA (0.65) PIK3CAMTORPIK3CGFLT3PIK3R1
SCHEMBL1946711 0.82 PIK3CA (0.56) PIK3CAMTORPIK3CGFLT3PIK3R1
SCHEMBL8062689 0.81 PIK3CA (0.64) PIK3CAMTORPIK3CGFLT3PIK3R1
SCHEMBL1573338 0.81 PIK3CA (0.55) PIK3CAMTORPIK3CGFLT3PIK3R1
SCHEMBL1944921 0.80 PIK3CA (0.58) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL1569287 0.80 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL4438219 0.80 PIK3CA (0.76) PIK3CAMTORPIK3CG
SCHEMBL1569347 0.79 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3R1HDAC1

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-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 US disclosed
US-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 US disclosed
US-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 US disclosed
WO-2010005558-A2 PI3K ISOFORM SELECTIVE INHIBITORS XCOVERY, INC. (US) 2010-01-14 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-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS PI4KA, PIK3CA, PIKFYVE PIK3CA 2/4885MTOR 147/4885PIK3CG 16/4885

“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.