SCHEMBL1360076

SCHEMBL1360076

CC(C)(O)Cn1ncc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.52
PIK3R1 P27986 17/20 0.52
MTOR P42345 3/20 0.50
PIK3CD O00329 3/20 0.49
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
JAK3 P52333 1/20 0.49
HDAC1 Q13547 2/20 0.46

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
SCHEMBL19140821 0.86 PIK3CA (0.54) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL7906345 0.84 PIK3CA (0.51) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL12137430 0.83 PIK3CA (0.42) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL11980071 0.83 PIK3CA (0.52) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL11908757 0.82 PIK3CA (0.49) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL11980075 0.82 PIK3CA (0.50) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL11980073 0.82 PIK3CA (0.53) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL1655495 0.81 PIK3CA (0.58) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL11980070 0.81 PIK3CA (0.50) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL1656945 0.81 PIK3CA (0.48) PIK3CAPIK3R1MTORPIK3CDJAK2

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 15 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

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 2/4885PIK3R1 27/4885MTOR 1/4885

“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.