SCHEMBL14880752

SCHEMBL14880752

COc1ccc(-c2ccc3ncnc(-c4ccc(C)c(C(=O)O)c4)c3c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.56
PIK3CA P42336 8/20 0.56
PIK3CB P42338 7/20 0.56
PIK3CG P48736 6/20 0.56
KCNH2 Q12809 3/20 0.56
CAMKK1 Q8N5S9 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
MTOR P42345 1/20 0.44
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
HDAC1 Q13547 1/20 0.42
MAP3K8 P41279 1/20 0.41

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
SCHEMBL15040591 0.92 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14883816 0.91 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14880278 0.84 PIK3CD (0.75) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14880388 0.84 PIK3CD (0.75) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14880326 0.83 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL182805 0.83 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14883817 0.82 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14880381 0.81 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL182718 0.81 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14883826 0.80 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
EP-2790705-A1 USE OF INHIBITORS OF THE ACTIVITY OR FUNCTION OF PI3K Novartis AG (CH) 2014-10-22 EP disclosed
US-20140249139-A1 Quinazoline Derivatives NOVARTIS AG (US) 2014-09-04 US disclosed
US-20140249139-A1 Quinazoline Derivatives NOVARTIS AG (US) 2014-09-04 US disclosed
US-20140249139-A1 Quinazoline Derivatives NOVARTIS AG (US) 2014-09-04 US disclosed
EP-2768813-A1 QUINAZOLINE DERIVATIVES AS PI3K MODULATORS Novartis AG (CH) 2014-08-27 EP disclosed
WO-2013088404-A1 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2013-06-20 WO disclosed
WO-2013088404-A1 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2013-06-20 WO disclosed
WO-2013057711-A1 QUINAZOLINE DERIVATIVES AS PI3K MODULATORS NOVARTIS AG (CH) 2013-04-25 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 (2 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-20140249139-A1 Quinazoline Derivatives XDH, PIK3CA, PIK3R4 PIK3CD 5/4885PIK3CA 2/4885PIK3CB 18/4885
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K TLR9, PIK3CD, PIK3R5 PIK3CD 2/4885PIK3CA 8/4885PIK3CB 9/4885

“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.