SCHEMBL182555

SCHEMBL182555

COc1cncc(-c2ccc3ncnc(-c4ccc(C(N)=O)cc4)c3c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.66
MKNK2 Q9HBH9 2/20 0.66
MAP4K4 O95819 3/20 0.56
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
PIK3CD O00329 4/20 0.48
PIK3CA P42336 4/20 0.48
PIK3CB P42338 4/20 0.48
KCNH2 Q12809 2/20 0.48
IRAK4 Q9NWZ3 2/20 0.47
CHEK2 O96017 2/20 0.47
PIK3CG P48736 4/20 0.45
MTOR P42345 1/20 0.45
ALOX5AP P20292 1/20 0.45
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
CD38 P28907 1/20 0.43
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 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
SCHEMBL182495 0.83 PIK3CA (0.58) MAP4K4PIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL182914 0.82 MKNK1 (0.64) MKNK1MKNK2PIK3CDPIK3CAPIK3CB
SCHEMBL183106 0.82 PIK3CD (0.65) MAP4K4CYP11B1CYP11B2PIK3CDPIK3CA
SCHEMBL183174 0.82 PIK3CA (0.57) MAP4K4PIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL182536 0.80 PIK3CA (0.60) MAP4K4PIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL17665897 0.78 MAP4K4 (0.72) MAP4K4CYP11B1CYP11B2IRAK4CYP1A2
SCHEMBL182628 0.77 MAPK1 (0.57) PIK3CDPIK3CAPIK3CBKCNH2CHEK2
SCHEMBL183097 0.77 MKNK1 (0.61) MKNK1MKNK2MAP4K4PIK3CDPIK3CA
SCHEMBL5569427 0.77 KIT (0.58) MKNK1MKNK2PIK3CDPIK3CAPIK3CB
SCHEMBL183031 0.76 MAPK1 (0.48) MKNK1MKNK2MAP4K4PIK3CDPIK3CA

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 MKNK1 153/4885MKNK2 136/4885MAP4K4 74/4885

“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.