SCHEMBL14720340

SCHEMBL14720340

Nc1cc(N2CCOCC2)nc2c(Cc3cccc(Cl)c3Cl)cnn12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 15/20 0.56
PIK3CD O00329 12/20 0.51
PIK3CA P42336 9/20 0.51
PIK3CG P48736 9/20 0.51
PIK3C3 Q8NEB9 1/20 0.44
PIK3C2B O00750 2/20 0.43
MTOR P42345 2/20 0.43
TYK2 P29597 1/20 0.42
CYP2A13 Q16696 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL14720495 0.80 PNMT (0.38) PIK3CBPIK3CDPIK3CA
SCHEMBL14720235 0.72 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL14720233 0.70 PIK3CB (0.42) PIK3CBPIK3CDPIK3CAPIK3CGCYP2A13
SCHEMBL14720411 0.69 PIK3CB (0.62) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C3
SCHEMBL15851256 0.69 PIK3CB (0.48) PIK3CBPIK3CA
SCHEMBL14721605 0.69 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL14720230 0.68 PIK3CB (0.80) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL14723491 0.67 PIK3CB (0.70) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL14545799 0.67 CHEK1 (0.51) PIK3CBTYK2
SCHEMBL30736 0.66 ATR (0.49) PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
WO-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed
WO-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 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-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CA, PI4K2B PIK3CB 6/4885PIK3CD 7/4885PIK3CA 2/4885

“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.