SCHEMBL1359636

SCHEMBL1359636

CNC(=O)Nc1nc2ccc(-c3nc(N4CCOCC4)nc4c3cnn4C3CCOCC3)cc2s1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.72
PIK3CA P42336 12/20 0.53
PIK3CG P48736 4/20 0.47
ATR Q13535 3/20 0.47
ABL1 P00519 3/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
LRRK2 Q5S007 3/20 0.42

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
SCHEMBL1358574 0.94 MTOR (0.72) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL1358651 0.84 MTOR (0.72) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL14776742 0.84 MTOR (1.00) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL1360518 0.83 PIK3CA (0.57) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1358955 0.83 MTOR (0.72) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL1358933 0.82 MTOR (0.69) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL1359099 0.82 MTOR (0.79) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL2578221 0.80 MTOR (0.69) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL14776663 0.80 MTOR (0.91) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL16684448 0.80 MTOR (0.70) MTORPIK3CAPIK3CGATRPIK3CD

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 14 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
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-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
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US disclosed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US 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 2/4885PIK3CG 7/4885

“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.