SCHEMBL1945160

SCHEMBL1945160

Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CC(O)c2ccccc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.58
MTOR P42345 4/20 0.58
PIK3R1 P27986 16/20 0.58
HDAC1 Q13547 3/20 0.57
PIK3CD O00329 3/20 0.50
PIK3CB P42338 2/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
PIK3CG P48736 1/20 0.50
JAK3 P52333 1/20 0.50
AKT1 P31749 1/20 0.43

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
SCHEMBL1569003 0.84 PIK3CA (0.61) PIK3CAMTORPIK3R1HDAC1PIK3CD
SCHEMBL11986008 0.84 PIK3CA (0.60) PIK3CAMTORPIK3R1HDAC1PIK3CD
SCHEMBL1568813 0.82 PIK3CA (0.63) PIK3CAMTORPIK3R1HDAC1PIK3CD
SCHEMBL12537295 0.81 ADORA2A (0.39) PIK3CAPIK3R1HDAC1
SCHEMBL1568808 0.80 PIK3CA (0.71) PIK3CAMTORPIK3R1HDAC1PIK3CD
SCHEMBL8053186 0.80 PIK3CA (0.76) PIK3CAMTORPIK3R1HDAC1PIK3CD
SCHEMBL3238221 0.80 PIK3CA (0.66) PIK3CAMTORPIK3R1HDAC1PIK3CD
SCHEMBL12537279 0.79 PIK3CA (0.64) PIK3CAMTORPIK3R1HDAC1PIK3CD
SCHEMBL8059503 0.78 PIK3CA (0.64) PIK3CAMTORPIK3R1HDAC1PIK3CD
SCHEMBL1570785 0.78 PIK3CA (0.60) PIK3CAMTORPIK3R1HDAC1PIK3CD

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 147/4885PIK3R1 79/4885

“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.