SCHEMBL8082756

SCHEMBL8082756

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.62
MTOR P42345 3/20 0.62
HDAC3 O15379 17/20 0.51
HDAC4 P56524 17/20 0.51
HDAC1 Q13547 17/20 0.51
HDAC7 Q8WUI4 17/20 0.51
HDAC2 Q92769 17/20 0.51
HDAC10 Q969S8 17/20 0.51
HDAC11 Q96DB2 17/20 0.51
HDAC8 Q9BY41 17/20 0.51
HDAC6 Q9UBN7 17/20 0.51
HDAC9 Q9UKV0 17/20 0.51
HDAC5 Q9UQL6 17/20 0.51
PIK3R1 P27986 2/20 0.48
PIK3CD O00329 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
JAK3 P52333 1/20 0.47

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
SCHEMBL11986004 0.91 PIK3CA (0.76) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL945810 0.90 PIK3CA (0.66) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL8067046 0.88 PIK3CA (0.62) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL8079833 0.88 PIK3CA (0.80) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL7946722 0.87 PIK3CA (0.56) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL12910339 0.86 PIK3CA (0.68) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL12910340 0.85 PIK3CA (0.64) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL14731750 0.82 PIK3CA (0.74) PIK3CAMTORHDAC3HDAC4HDAC1
SCHEMBL11980021 0.82 PIK3CA (0.48) PIK3CAMTORPIK3R1PIK3CDJAK2
SCHEMBL12910341 0.81 PIK3CA (0.59) 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 3 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
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.