SCHEMBL358089

SCHEMBL358089

Cn1c(OC2CCN(C3CCOCC3)CC2)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.48
PIK3CD O00329 3/20 0.44
HRH3 Q9Y5N1 3/20 0.42
CNR2 P34972 10/20 0.38
HDAC1 Q13547 1/20 0.38
CNR1 P21554 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL18032509 0.93 TNF (0.55) TNFPIK3CDHRH3CNR2HDAC1
SCHEMBL18032516 0.91 TNF (0.42) TNFPIK3CDHRH3CNR2HDAC1
SCHEMBL18032514 0.91 HRH3 (0.46) TNFPIK3CDHRH3CNR2HDAC1
SCHEMBL18032511 0.86 PIK3CD (0.52) TNFPIK3CDHRH3CNR2HDAC1
SCHEMBL18032506 0.85 TNF (0.41) TNFPIK3CDHRH3CNR2HDAC1
SCHEMBL18032512 0.83 HDAC1 (0.42) TNFPIK3CDHRH3CNR2HDAC1
SCHEMBL362572 0.81 PIK3CD (0.42) TNFPIK3CDHRH3CNR2HDAC1
SCHEMBL357787 0.80 PIK3CD (0.44) TNFPIK3CDHDAC1SMN1; SMN2PIK3CA
SCHEMBL359280 0.78 PIK3CD (0.64) TNFPIK3CDPIK3CA
SCHEMBL2674843 0.77 HRH3 (0.46) PIK3CDHRH3HDAC1PIK3CA

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 TNF 1800/4885PIK3CD 2/4885HRH3 1331/4885

“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.