SCHEMBL1359686

SCHEMBL1359686

OCCc1n[nH]c2nc(N3CCOCC3)nc(-c3cccc4nc(C(F)F)[nH]c34)c12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 15/20 0.38
PIK3CA P42336 15/20 0.38
PIK3CD O00329 13/20 0.38
PIK3CG P48736 11/20 0.38
LRRK2 Q5S007 1/20 0.36
PIK3R1 P27986 4/20 0.35
PIK3C2B O00750 1/20 0.35
MTOR P42345 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1359681 0.86 PIK3CB (0.37) PIK3CBPIK3CAPIK3CDPIK3CGLRRK2
SCHEMBL1680307 0.85 PIK3CA (0.43) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL1680650 0.76 PIK3CB (0.37) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL28529886 0.74 PIK3CB (0.40) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL1680072 0.72 PIK3CD (0.44) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL4798874 0.70 PIK3CA (0.52) PIK3CBPIK3CAPIK3CDPIK3CGLRRK2
SCHEMBL1359678 0.70 LMNA (0.37) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL1680099 0.65 PIK3CA (0.42) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL1680104 0.65 PIK3CA (0.40) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL1680091 0.64 PIK3CA (0.41) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1

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 9 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
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
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
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 PIK3CB 9/4885PIK3CA 2/4885PIK3CD 5/4885

“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.