SCHEMBL358520

SCHEMBL358520

CC(C)(C)OC(=O)N1CC(Oc2nc3c(N4CCOCC4)nc(Cl)nc3n2C2CCCCO2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.38
PIK3CA P42336 6/20 0.36
PIK3R1 P27986 3/20 0.36
MTOR P42345 3/20 0.35
PIK3CG P48736 3/20 0.35
ATR Q13535 2/20 0.35
USP30 Q70CQ3 1/20 0.35
AURKB Q96GD4 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34
HDAC1 Q13547 1/20 0.33

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
SCHEMBL358553 0.85 PIK3CD (0.46) PIK3CDPIK3CAPIK3R1MTORPIK3CG
SCHEMBL357787 0.79 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CGATR
SCHEMBL10007881 0.78 HDAC1 (0.39) PIK3CDPIK3CAPIK3R1ATRHDAC1
SCHEMBL12268013 0.78 HDAC1 (0.39) PIK3CDATRSMN1; SMN2HDAC1
SCHEMBL9938480 0.77 MTOR (0.35) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL9936832 0.77 HDAC1 (0.36) MTORATRHDAC1
SCHEMBL9938030 0.77 HDAC1 (0.39) PIK3CDMTORATRHDAC1
SCHEMBL9937580 0.77 HDAC1 (0.42) PIK3CDATRHDAC1
SCHEMBL1114173 0.76 PIK3CD (0.40) PIK3CDPIK3CAMTORPIK3CGATR
SCHEMBL31372903 0.76 PIK3CD (0.40) PIK3CDPIK3CAMTORPIK3CGATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593455-B1 PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-03-18 EP disclosed
EP-2593455-A1 PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
WO-2012007493-A1 PURINE COMPOUNDS SELECTIVE FOR ΡI3Κ P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PIK3CD 2/4885PIK3CA 1/4885PIK3R1 10/4885

“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.