Sugi Predict

Sugi Predict / Compounds / SCHEMBL1680074

SCHEMBL1680074

SCHEMBL1680074

CN(C)C(=O)N1CCC(n2cnc3c(-c4cccc5[nH]c(C(F)F)nc45)nc(N4CCOCC4)nc32)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.41
▸ MTOR P42345 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ HDAC3 O15379 13/20 0.37
▸ HDAC4 P56524 13/20 0.37
▸ HDAC1 Q13547 13/20 0.37
▸ HDAC7 Q8WUI4 13/20 0.37
▸ HDAC2 Q92769 13/20 0.37
▸ HDAC10 Q969S8 13/20 0.37
▸ HDAC11 Q96DB2 13/20 0.37
▸ HDAC8 Q9BY41 13/20 0.37
▸ HDAC6 Q9UBN7 13/20 0.37
▸ HDAC9 Q9UKV0 13/20 0.37
▸ HDAC5 Q9UQL6 13/20 0.37
▸ PIK3CD O00329 2/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ PIK3CB P42338 1/20 0.36

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
SCHEMBL11899777 0.96 PIK3CA (0.44) PIK3CAMTORPIK3CGHDAC3HDAC4
SCHEMBL1680087 0.89 PIK3CA (0.42) PIK3CAMTORPIK3CGHDAC3HDAC4
SCHEMBL1680095 0.87 PIK3CA (0.41) PIK3CAMTORPIK3CGHDAC3HDAC4
SCHEMBL1680100 0.87 PIK3CA (0.41) PIK3CAMTORPIK3CGHDAC3HDAC4
SCHEMBL1680106 0.86 PIK3CA (0.41) PIK3CAMTORPIK3CGHDAC3HDAC4
SCHEMBL1680083 0.83 PIK3CA (0.52) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL1680091 0.78 PIK3CA (0.41) PIK3CAMTORPIK3CGHDAC3HDAC4
SCHEMBL1680099 0.77 PIK3CA (0.42) PIK3CAMTORPIK3CGHDAC3HDAC4
SCHEMBL1680104 0.76 PIK3CA (0.40) PIK3CAMTORPIK3CGHDAC3HDAC4
SCHEMBL1680109 0.76 PIK3CA (0.40) PIK3CAMTORPIK3CGHDAC3HDAC4

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 10 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
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 2/4885MTOR 38/4885PIK3CG 5/4885
US-20120202805-A1 PI3K (delta) SELECTIVE INHIBITORS PIK3CD, PIK3CA, PIK3R5 PIK3CA 2/4885MTOR 38/4885PIK3CG 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.