SCHEMBL7917870

SCHEMBL7917870

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.51
MTOR P42345 3/20 0.51
PIK3CG P48736 2/20 0.51
ATR Q13535 2/20 0.51
AURKB Q96GD4 1/20 0.51
PIK3R1 P27986 17/20 0.48
PIK3CD O00329 3/20 0.47
PIK3CB P42338 3/20 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
SCHEMBL1359623 0.88 PIK3CA (0.64) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL12137610 0.87 PIK3CA (0.57) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL15393723 0.87 MTOR (0.59) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL7920904 0.87 MTOR (0.59) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL1359481 0.87 MTOR (0.55) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL13536242 0.86 PIK3CA (0.51) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL12537407 0.86 PIK3CA (0.51) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL14790912 0.86 MTOR (0.71) PIK3CAMTORPIK3CGATR
SCHEMBL12137613 0.85 PIK3CA (0.49) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL1359212 0.83 PIK3CA (0.62) PIK3CAMTORPIK3CGATRAURKB

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-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
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 PIK3CA 2/4885MTOR 1/4885PIK3CG 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.