SCHEMBL1360482

SCHEMBL1360482

COC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c2cnn3CC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.59
PIK3CA P42336 16/20 0.59
PIK3R1 P27986 2/20 0.51
PIK3CG P48736 3/20 0.46
RICTOR Q6R327 1/20 0.46
RPTOR Q8N122 1/20 0.46
MAPKAP1 Q9BPZ7 1/20 0.46
MLST8 Q9BVC4 1/20 0.46
PIK3CD O00329 1/20 0.45

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
SCHEMBL1357920 0.91 MTOR (0.55) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL16684484 0.90 MTOR (0.59) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL1359915 0.86 MTOR (0.55) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL16667477 0.82 PIK3CA (0.49) MTORPIK3CAPIK3R1PIK3CD
SCHEMBL1359067 0.81 MTOR (0.80) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL2599579 0.81 MTOR (0.69) MTORPIK3CAPIK3CG
SCHEMBL7913091 0.80 MTOR (0.58) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL7917261 0.79 MTOR (0.70) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL16684433 0.76 MTOR (0.65) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL14071928 0.76 MTOR (0.84) MTORPIK3CAPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382207-B1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING CO LLC (US) 2015-04-29 EP claimed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US claimed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US claimed
EP-2382207-A2 PI3K/MTOR KINASE INHIBITORS Xcovery Holding Company LLC (US) 2011-11-02 EP claimed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 WO claimed
EP-2382207-B1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING CO LLC (US) 2015-04-29 EP disclosed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US disclosed
EP-2382207-A2 PI3K/MTOR KINASE INHIBITORS Xcovery Holding Company LLC (US) 2011-11-02 EP disclosed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 WO disclosed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 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-20110281857-A1 PI3K/MTOR KINASE INHIBITORS MTOR, PIK3CA, PI4KA MTOR 1/4885PIK3CA 2/4885PIK3R1 27/4885

“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.