SCHEMBL182495

SCHEMBL182495

COc1ccc(-c2ccc3ncnc(-c4ccc(C(N)=O)cc4)c3c2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.58
PIK3CD O00329 6/20 0.58
PIK3CB P42338 6/20 0.58
PIK3CG P48736 6/20 0.58
KCNH2 Q12809 1/20 0.58
MTOR P42345 1/20 0.57
CHEK1 O14757 2/20 0.54
CHEK2 O96017 2/20 0.54
BRAF P15056 3/20 0.53
RAF1 P04049 2/20 0.53
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
CLK4 Q9HAZ1 1/20 0.47
ATR Q13535 1/20 0.47
KIT P10721 1/20 0.46
MAP3K11 Q16584 1/20 0.46
MELK Q14680 1/20 0.46
MAP4K4 O95819 1/20 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
SCHEMBL183174 0.99 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL182536 0.96 PIK3CA (0.60) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL182628 0.93 MAPK1 (0.57) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL183208 0.90 PIK3CD (0.58) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL183018 0.89 PIK3CD (0.57) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL5569427 0.89 KIT (0.58) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL182533 0.89 PIK3CD (0.71) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL182885 0.87 PIK3CD (0.56) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL183031 0.87 MAPK1 (0.48) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL182844 0.87 CLK4 (0.59) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP disclosed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN 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-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA PIK3CA 3/4885PIK3CD 6/4885PIK3CB 12/4885

“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.