SCHEMBL182628

SCHEMBL182628

CCOc1ccc(-c2ccc3ncnc(-c4ccc(C(N)=O)cc4)c3c2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
PIK3CA P42336 6/20 0.53
PIK3CD O00329 5/20 0.53
PIK3CB P42338 5/20 0.53
PIK3CG P48736 5/20 0.53
KCNH2 Q12809 1/20 0.53
MTOR P42345 1/20 0.52
CHEK1 O14757 1/20 0.48
CHEK2 O96017 1/20 0.48
BRAF P15056 3/20 0.48
RAF1 P04049 2/20 0.48
TSHR P16473 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL183031 0.95 MAPK1 (0.48) MAPK1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL182495 0.93 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL183174 0.92 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL182536 0.90 PIK3CA (0.60) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL182537 0.88 PIK3CD (0.64) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL182852 0.88 PIK3CD (0.64) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL182747 0.86 PIK3CD (0.63) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL182686 0.86 PIK3CD (0.63) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL182951 0.85 PIK3CD (0.64) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL183208 0.84 PIK3CD (0.58) 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 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 MAPK1 70/4885PIK3CA 3/4885PIK3CD 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.