SCHEMBL1359481

SCHEMBL1359481

C[C@@H](N)C(=O)N1CCC(n2ncc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.55
PIK3CA P42336 19/20 0.54
PIK3R1 P27986 17/20 0.54
PIK3CD O00329 4/20 0.50
PIK3CB P42338 4/20 0.50
PIK3CG P48736 2/20 0.47
MAPK14 Q16539 1/20 0.47
CSNK1G1 Q9HCP0 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
JAK3 P52333 1/20 0.47

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
SCHEMBL11980078 0.89 PIK3CA (0.59) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL7917870 0.87 PIK3CA (0.51) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1359212 0.86 PIK3CA (0.62) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1359843 0.86 MTOR (0.55) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL11980081 0.86 PIK3R1 (0.65) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL7904273 0.86 MTOR (0.49) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1359593 0.86 MTOR (0.49) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1359441 0.85 MTOR (0.54) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1359623 0.85 PIK3CA (0.64) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL7920905 0.85 MTOR (0.64) 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 16 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
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.