SCHEMBL182541

SCHEMBL182541

N#Cc1ccc(-c2ncnc3ccc(-c4ccc(N)nc4)cc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 9/20 0.61
PIK3CA P42336 3/20 0.47
MTOR P42345 3/20 0.47
PIK3CD O00329 2/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.43
ATM Q13315 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PDPK1 O15530 1/20 0.41
RPS6KB1 P23443 1/20 0.41
LIMK1 P53667 1/20 0.39

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
SCHEMBL183097 0.79 MKNK1 (0.61) MAP4K4PIK3CAMTORPIK3CDPIK3CB
SCHEMBL7524767 0.77 MAP4K4 (0.54) MAP4K4PIK3CAMTORPIK3CDPIK3CB
SCHEMBL15156799 0.77 PIK3CD (0.59) MAP4K4PIK3CDCYP1A2
SCHEMBL15587280 0.76 MAP4K4 (1.00) MAP4K4LIMK1
SCHEMBL21318570 0.76 MAP4K4 (0.66) MAP4K4
SCHEMBL183242 0.76 PIK3CD (0.58) MAP4K4PIK3CAMTORPIK3CDPIK3CB
SCHEMBL182818 0.75 PIK3CD (0.67) MAP4K4PIK3CAMTORPIK3CDPIK3CB
SCHEMBL14189311 0.71 MAP4K4 (0.68) MAP4K4PIK3CAPIK3CDCYP1A2CYP3A4
SCHEMBL19398273 0.70 MAP4K4 (0.68) MAP4K4IRAK4
SCHEMBL5562910 0.70 MAP4K4 (0.62) MAP4K4PIK3CAPIK3CDCYP1A2CYP3A4

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 MAP4K4 74/4885PIK3CA 3/4885MTOR 34/4885

“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.