SCHEMBL357452

SCHEMBL357452

CC(C)C(=O)N1CC(Oc2nc3c(N4CCOCC4)nc(Cl)nc3n2C)C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.61
HDAC1 Q13547 1/20 0.41
TNF P01375 2/20 0.36
NT5E P21589 2/20 0.35
ACACB O00763 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKT1 P31749 1/20 0.33
PIK3CA P42336 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) PIK3CDHDAC1TNFSMN1; SMN2PIK3CA
SCHEMBL362572 0.82 PIK3CD (0.42) PIK3CDHDAC1TNFNT5ESMN1; SMN2
SCHEMBL18032516 0.81 TNF (0.42) PIK3CDHDAC1TNFNT5ESMN1; SMN2
SCHEMBL362463 0.80 PIK3CD (0.44) PIK3CDHDAC1TNFNT5ESMN1; SMN2
SCHEMBL18032512 0.79 HDAC1 (0.42) PIK3CDHDAC1TNFNT5ESMN1; SMN2
SCHEMBL357787 0.79 PIK3CD (0.44) PIK3CDHDAC1TNFSMN1; SMN2PIK3CA
SCHEMBL358486 0.79 PIK3CD (0.79) PIK3CDPIK3CA
SCHEMBL18032511 0.78 PIK3CD (0.52) PIK3CDHDAC1TNFNT5ESMN1; SMN2
SCHEMBL358620 0.78 PIK3CD (0.81) PIK3CDPIK3CA
SCHEMBL18032506 0.78 TNF (0.41) PIK3CDHDAC1TNFNT5ESMN1; SMN2

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 9 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-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-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
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
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 2/4885HDAC1 3977/4885TNF 1800/4885

“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.