SCHEMBL855796

SCHEMBL855796

COc1nc(N)ncc1-c1nc(OC2CCOCC2)cc(N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.46
MTOR P42345 14/20 0.46
AKT1 P31749 4/20 0.46
PDE10A Q9Y233 2/20 0.44
PIK3R1 P27986 1/20 0.43
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
PIK3CB P42338 1/20 0.40
CYP2C19 P33261 1/20 0.40
RICTOR Q6R327 2/20 0.39
RPTOR Q8N122 2/20 0.39
MAPKAP1 Q9BPZ7 2/20 0.39
MLST8 Q9BVC4 2/20 0.39

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
SCHEMBL855456 0.88 PIK3CA (0.54) PIK3CAMTORAKT1PDE10APIK3R1
SCHEMBL856368 0.83 MTOR (0.60) PIK3CAMTORAKT1PIK3R1PIK3CB
SCHEMBL855462 0.78 PIK3CA (0.57) PIK3CAMTORAKT1PDE10ARAF1
SCHEMBL855848 0.78 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CBRICTOR
SCHEMBL4441803 0.76 HTT (0.45) PIK3CAMTORAKT1PDE10ARAF1
SCHEMBL856846 0.75 PIK3CA (0.59) PIK3CAMTORPIK3CB
SCHEMBL10327733 0.71 PIK3CA (0.65) PIK3CAMTORAKT1PIK3R1RAF1
SCHEMBL855868 0.71 PIK3CA (0.68) PIK3CAMTORPIK3R1PIK3CBRICTOR
SCHEMBL856369 0.70 PDE10A (0.46) PIK3CAMTORAKT1PDE10ARAF1
SCHEMBL10327577 0.68 MTOR (0.68) PIK3CAMTORPIK3R1PIK3CB

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
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2118087-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-11-18 EP disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 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-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KA, PI4KB, PI4K2A PIK3CA 5/4885MTOR 64/4885AKT1 22/4885

“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.