SCHEMBL1359593

SCHEMBL1359593

C[C@H](N)C(=O)N1CCC(n2ncc3c(-c4csc(N)n4)nc(N4CCOCC4)nc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.49
PIK3CA P42336 12/20 0.44
PIK3CG P48736 3/20 0.44
MAPK14 Q16539 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44
PDE9A O76083 5/20 0.43
ATR Q13535 2/20 0.42
AURKB Q96GD4 1/20 0.42
PIK3R1 P27986 5/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40

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
SCHEMBL7904273 1.00 MTOR (0.49) MTORPIK3CAPIK3CGMAPK14CSNK1G1
SCHEMBL1359481 0.86 MTOR (0.55) MTORPIK3CAPIK3CGMAPK14CSNK1G1
SCHEMBL1359670 0.85 MTOR (0.54) MTORPIK3CAPIK3CGMAPK14CSNK1G1
SCHEMBL2565011 0.81 MTOR (0.44) MTORPIK3CAPIK3CGMAPK14CSNK1G1
SCHEMBL2597496 0.79 MTOR (0.79) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL7920905 0.79 MTOR (0.64) MTORPIK3CAPIK3CGMAPK14CSNK1G1
SCHEMBL3145907 0.79 MTOR (0.64) MTORPIK3CAPIK3CGMAPK14CSNK1G1
Hydrochloric Acid SCHEMBL1359560 0.79 MTOR (0.64) MTORPIK3CAPIK3CGMAPK14CSNK1G1
SCHEMBL2578221 0.76 MTOR (0.69) MTORPIK3CAPIK3CGPDE9AATR
SCHEMBL11980078 0.75 PIK3CA (0.59) MTORPIK3CAPIK3CGMAPK14CSNK1G1

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-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
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

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.