SCHEMBL1680108

SCHEMBL1680108

CN1CCN(C(=O)N2CCC(n3cnc4c(C5(C(F)F)N=c6ccccc6=N5)nc(N5CCOCC5)nc43)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.40
PIK3CA P42336 12/20 0.40
PIK3CG P48736 10/20 0.40
MTOR P42345 9/20 0.40
PIK3CB P42338 5/20 0.38
PIK3CD O00329 4/20 0.38
PIK3R1 P27986 2/20 0.38
PDGFRA P16234 1/20 0.35
HTT P42858 1/20 0.33

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
SCHEMBL1680103 0.93 FLT3 (0.40) FLT3PIK3CAPIK3CGMTORPIK3CB
SCHEMBL1680079 0.90 PIK3CA (0.44) FLT3PIK3CAPIK3CGMTORPIK3CB
SCHEMBL1680089 0.89 PIK3CA (0.40) FLT3PIK3CAPIK3CGMTORPIK3CB
SCHEMBL1680093 0.89 PIK3CA (0.41) FLT3PIK3CAPIK3CGMTORPIK3CB
SCHEMBL1680082 0.84 PIK3R1 (0.53) FLT3PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL1680107 0.78 PIK3CB (0.53) PIK3CAPIK3CGPIK3CBPIK3CDPIK3R1
SCHEMBL1680092 0.75 PIK3R1 (0.59) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL12537466 0.75 PIK3CA (0.51) PIK3CAPIK3CGMTOR
SCHEMBL1680106 0.75 PIK3CA (0.41) FLT3PIK3CAPIK3CGMTORPIK3CB
SCHEMBL1680109 0.74 PIK3CA (0.40) FLT3PIK3CAPIK3CGMTORPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051699-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2014-02-20 US claimed
US-8569296-B2 PI3K (delta) selective inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-10-29 US claimed
US-20120202805-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC 2012-08-09 US claimed
US-20140051699-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2014-02-20 US disclosed
US-8569296-B2 PI3K (delta) selective inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-10-29 US disclosed
US-20120202805-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC 2012-08-09 US disclosed
EP-2483272-A2 PI3K (DELTA) SELECTIVE INHIBITORS Xcovery Holding Company LLC (US) 2012-08-08 EP disclosed
WO-2011041399-A2 PI3K (DELTA) SELECTIVE INHIBITORS TYROGENEX, INC. (US) 2011-04-07 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-20140051699-A1 PI3K (delta) SELECTIVE INHIBITORS PIK3CD, PIK3CA, PIK3R5 FLT3 1824/4885PIK3CA 2/4885PIK3CG 5/4885
US-20120202805-A1 PI3K (delta) SELECTIVE INHIBITORS PIK3CD, PIK3CA, PIK3R5 FLT3 1824/4885PIK3CA 2/4885PIK3CG 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.