SCHEMBL182791

SCHEMBL182791

COc1ccc(-c2ccc3nc(N)nc(-c4ccc(OC)nc4)c3c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.57
PIK3CG P48736 3/20 0.55
PIK3CD O00329 2/20 0.55
PIK3CB P42338 2/20 0.55
PI4KA P42356 2/20 0.55
PI4KB Q9UBF8 2/20 0.55
PIP5K1C O60331 1/20 0.55
ADORA2A P29274 3/20 0.49
ADORA1 P30542 1/20 0.49
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
HSP90AB1 P08238 1/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
MTOR P42345 3/20 0.43
ATM Q13315 1/20 0.43
ERN1 O75460 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL182810 0.91 PIK3CA (0.49) PIK3CAPIK3CGPIK3CDPIK3CBPI4KA
SCHEMBL182901 0.90 PIK3CA (0.51) PIK3CAPIK3CGPIK3CDPIK3CBPI4KA
SCHEMBL182805 0.79 PIK3CD (0.58) PIK3CAPIK3CGPIK3CDPIK3CBPI4KA
SCHEMBL183029 0.79 PIK3CA (0.51) PIK3CAPIK3CGPIK3CDPIK3CBADORA2A
SCHEMBL18041207 0.78 PIK3CA (0.48) PIK3CAPIK3CGPIK3CDPIK3CBPI4KA
SCHEMBL4515189 0.77 PIK3CD (0.47) PIK3CAPIK3CGPIK3CDPIK3CBPI4KA
SCHEMBL182850 0.76 DHFR (0.53) PIK3CAPIK3CGPIK3CDPIK3CBADORA2A
SCHEMBL17212401 0.75 CYP1A1 (0.52) PIK3CAPIK3CGPIK3CDPIK3CBPI4KA
SCHEMBL182718 0.75 PIK3CD (0.61) PIK3CAPIK3CGPIK3CDPIK3CBPI4KA
SCHEMBL18041206 0.74 EGFR (0.62) PIK3CAPDGFRBMKNK1

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 5 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
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

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 3/4885PIK3CG 15/4885PIK3CD 6/4885

“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.