SCHEMBL1680396

SCHEMBL1680396

FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2cnn(C3CCOCC3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.61
PIK3CD O00329 11/20 0.61
PIK3CA P42336 9/20 0.61
PIK3R1 P27986 4/20 0.61
PIK3CG P48736 5/20 0.59
PIK3C2B O00750 1/20 0.59
MTOR P42345 1/20 0.59

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
SCHEMBL1359010 0.93 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL11961143 0.86 PIK3CB (0.62) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL1680281 0.84 PIK3CA (0.84) PIK3CBPIK3CDPIK3CAPIK3R1
SCHEMBL11961139 0.82 PIK3CB (0.44) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL1680649 0.80 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL1681396 0.78 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL2810461 0.78 PIK3CA (0.80) PIK3CBPIK3CDPIK3CAPIK3R1
SCHEMBL11961134 0.78 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL2811275 0.76 PIK3R1 (1.00) PIK3CBPIK3CDPIK3CAPIK3R1
Zstk-474 SCHEMBL373282 0.75 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG

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 14 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-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-20140051699-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2014-02-20 US disclosed
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-8569296-B2 PI3K (delta) selective inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-10-29 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
US-20120202805-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC 2012-08-09 US disclosed
US-20120202805-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC 2012-08-09 US 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 PIK3CB 6/4885PIK3CD 1/4885PIK3CA 2/4885
US-20120202805-A1 PI3K (delta) SELECTIVE INHIBITORS PIK3CD, PIK3CA, PIK3R5 PIK3CB 6/4885PIK3CD 1/4885PIK3CA 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.