SCHEMBL1680075

SCHEMBL1680075

CS(=O)(=O)N1CCN(Cc2cc3nc(-n4c(C(F)F)nc5ccccc54)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.79
PIK3CA P42336 9/20 0.71
PIK3R1 P27986 3/20 0.71
PIK3CB P42338 6/20 0.64
PIK3CG P48736 5/20 0.62

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
SCHEMBL190336 0.90 PIK3CD (0.86) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL11898777 0.87 PIK3CA (0.66) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL190242 0.84 PIK3CD (0.73) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL31614746 0.82 PIK3CA (0.73) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL14257549 0.79 PIK3CD (0.71) PIK3CDPIK3CAPIK3R1
SCHEMBL477346 0.79 PIK3CB (1.00) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL28604999 0.79 PIK3CD (0.87) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13059937 0.78 PIK3CA (0.81) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL190607 0.78 PIK3CD (0.67) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL8212433 0.77 PIK3CA (0.73) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG

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

“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.