SCHEMBL1680099

SCHEMBL1680099

COC(=O)N1CCC(n2cnc3c(-c4cccc5nc(C(F)F)[nH]c45)nc(N4CCOCC4)nc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.42
PIK3CB P42338 4/20 0.42
PIK3CD O00329 2/20 0.42
PIK3R1 P27986 2/20 0.42
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
HDAC3 O15379 12/20 0.38
HDAC4 P56524 12/20 0.38
HDAC1 Q13547 12/20 0.38
HDAC7 Q8WUI4 12/20 0.38
HDAC2 Q92769 12/20 0.38
HDAC10 Q969S8 12/20 0.38
HDAC11 Q96DB2 12/20 0.38
HDAC8 Q9BY41 12/20 0.38
HDAC6 Q9UBN7 12/20 0.38
HDAC9 Q9UKV0 12/20 0.38
HDAC5 Q9UQL6 12/20 0.38
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
SCHEMBL1680091 0.90 PIK3CA (0.41) PIK3CAPIK3CBPIK3CDPIK3R1MTOR
SCHEMBL1680104 0.90 PIK3CA (0.40) PIK3CAPIK3CBPIK3CDPIK3R1MTOR
SCHEMBL1680109 0.89 PIK3CA (0.40) PIK3CAPIK3CBPIK3CDPIK3R1MTOR
SCHEMBL1680095 0.89 PIK3CA (0.41) PIK3CAPIK3CBPIK3CDPIK3R1MTOR
SCHEMBL1680085 0.86 PIK3CD (0.53) PIK3CAPIK3CBPIK3CDPIK3R1FLT3
SCHEMBL1680080 0.82 PIK3CA (0.38) PIK3CAPIK3CBPIK3CDPIK3R1MTOR
SCHEMBL1680087 0.79 PIK3CA (0.42) PIK3CAPIK3CBPIK3CDPIK3R1MTOR
SCHEMBL11899777 0.79 PIK3CA (0.44) PIK3CAPIK3CBPIK3CDPIK3R1MTOR
SCHEMBL1680100 0.79 PIK3CA (0.41) PIK3CAPIK3CBPIK3CDPIK3R1MTOR
SCHEMBL1680106 0.79 PIK3CA (0.41) PIK3CAPIK3CBPIK3CDPIK3R1MTOR

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 PIK3CA 2/4885PIK3CB 6/4885PIK3CD 1/4885
US-20120202805-A1 PI3K (delta) SELECTIVE INHIBITORS PIK3CD, PIK3CA, PIK3R5 PIK3CA 2/4885PIK3CB 6/4885PIK3CD 1/4885

“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.