SCHEMBL944931

SCHEMBL944931

CCOC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.54
MTOR P42345 1/20 0.52
HDAC3 O15379 9/20 0.51
HDAC4 P56524 9/20 0.51
HDAC1 Q13547 9/20 0.51
HDAC7 Q8WUI4 9/20 0.51
HDAC2 Q92769 9/20 0.51
HDAC10 Q969S8 9/20 0.51
HDAC11 Q96DB2 9/20 0.51
HDAC8 Q9BY41 9/20 0.51
HDAC6 Q9UBN7 9/20 0.51
HDAC9 Q9UKV0 9/20 0.51
HDAC5 Q9UQL6 9/20 0.51

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
SCHEMBL12910206 0.92 PIK3CA (0.53) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL12537227 0.88 HDAC1 (0.54) PIK3CAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1568614 0.86 PIK3CA (0.56) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL12910282 0.86 PIK3CA (0.56) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL12910283 0.84 HDAC3 (0.57) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL945723 0.84 PIK3CA (0.54) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL12910276 0.84 PIK3CA (0.52) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL944764 0.82 PIK3CA (0.60) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL12910286 0.82 PIK3CA (0.52) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL12910292 0.82 PIK3CA (0.53) 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.