SCHEMBL1680098

SCHEMBL1680098

COc1c(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(S(C)(=O)=O)CC2)ccc2nc(C(F)F)[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.52
PIK3R1 P27986 18/20 0.52
PIK3CA P42336 18/20 0.52
PIK3CB P42338 13/20 0.52
FLT3 P36888 2/20 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
SCHEMBL1680094 0.90 PIK3R1 (0.52) PIK3CDPIK3R1PIK3CAPIK3CBFLT3
SCHEMBL1680085 0.89 PIK3CD (0.53) PIK3CDPIK3R1PIK3CAPIK3CBFLT3
SCHEMBL1680080 0.86 PIK3CA (0.38) PIK3CDPIK3R1PIK3CAPIK3CBFLT3
SCHEMBL1680083 0.82 PIK3CA (0.52) PIK3CDPIK3R1PIK3CAPIK3CBFLT3
SCHEMBL1680073 0.81 PIK3CB (0.40) PIK3CDPIK3R1PIK3CAPIK3CBFLT3
SCHEMBL1680099 0.79 PIK3CA (0.42) PIK3CDPIK3R1PIK3CAPIK3CBFLT3
SCHEMBL1680076 0.76 PIK3CA (0.38) PIK3CDPIK3R1PIK3CAPIK3CBFLT3
SCHEMBL1680091 0.76 PIK3CA (0.41) PIK3CDPIK3R1PIK3CAPIK3CBFLT3
SCHEMBL1680104 0.75 PIK3CA (0.40) PIK3CDPIK3R1PIK3CAPIK3CBFLT3
SCHEMBL1680109 0.75 PIK3CA (0.40) PIK3CDPIK3R1PIK3CAPIK3CBFLT3

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
EP-2483272-A2 PI3K (DELTA) SELECTIVE INHIBITORS Xcovery Holding Company LLC (US) 2012-08-08 EP claimed
WO-2011041399-A2 PI3K (DELTA) SELECTIVE INHIBITORS TYROGENEX, INC. (US) 2011-04-07 WO 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

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 PIK3CD 1/4885PIK3R1 10/4885PIK3CA 2/4885
US-20120202805-A1 PI3K (delta) SELECTIVE INHIBITORS PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885PIK3R1 10/4885PIK3CA 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.