SCHEMBL945810

SCHEMBL945810

CCC(C)n1cnc2c(-c3ccc(N)nc3)nc(N3CCOCC3)nc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.66
MTOR P42345 6/20 0.66
HDAC3 O15379 13/20 0.51
HDAC4 P56524 13/20 0.51
HDAC1 Q13547 13/20 0.51
HDAC7 Q8WUI4 13/20 0.51
HDAC2 Q92769 13/20 0.51
HDAC10 Q969S8 13/20 0.51
HDAC11 Q96DB2 13/20 0.51
HDAC8 Q9BY41 13/20 0.51
HDAC6 Q9UBN7 13/20 0.51
HDAC9 Q9UKV0 13/20 0.51
HDAC5 Q9UQL6 13/20 0.51
PIK3R1 P27986 4/20 0.51
PIK3CD O00329 1/20 0.49
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
JAK3 P52333 1/20 0.49

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
SCHEMBL12910340 0.91 PIK3CA (0.64) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL8055477 0.90 PIK3CA (0.80) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL3655039 0.90 PIK3CA (0.80) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL8079833 0.90 PIK3CA (0.80) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL8082756 0.90 PIK3CA (0.62) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL12910339 0.88 PIK3CA (0.68) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL12910341 0.87 PIK3CA (0.59) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL1577823 0.86 PIK3CA (0.59) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL8061489 0.85 PIK3CA (0.62) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL8067044 0.84 PIK3CA (0.62) PIK3CAMTORHDAC3HDAC4HDAC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009403-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K S*BIO PTE LTD. (SG) 2011-01-13 US disclosed
US-20110009403-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K S*BIO PTE LTD. (SG) 2011-01-13 US disclosed
US-20110009403-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K S*BIO PTE LTD. (SG) 2011-01-13 US disclosed
EP-2209785-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K S*BIO Pte Ltd (SG) 2010-07-28 EP disclosed
WO-2009045174-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K S*BIO PTE LTD (SG) 2009-04-09 WO disclosed
WO-2009045174-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K S*BIO PTE LTD (SG) 2009-04-09 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 (1 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-20110009403-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K PIK3CA, TPMT, MTOR PIK3CA 1/4885MTOR 3/4885HDAC3 3655/4885

“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.