SCHEMBL3114069

SCHEMBL3114069

CN(C)S(=O)(=O)c1cc(-c2ccc3nc(N)nc(-c4ccncc4)c3c2)cnc1N

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.52
MTOR P42345 4/20 0.52
AKT1 P31749 1/20 0.51
HSP90AB1 P08238 1/20 0.39
PIK3C3 Q8NEB9 5/20 0.38
MAP4K4 O95819 1/20 0.37
MET P08581 1/20 0.37
MAPK10 P53779 2/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3105712 0.87 PIK3CA (0.54) PIK3CAMTORAKT1PIK3C3MAP4K4
SCHEMBL3114666 0.84 PIK3CA (0.44) PIK3CAMTORAKT1PIK3C3MAP4K4
SCHEMBL3122672 0.84 PIK3CA (0.46) PIK3CAMTORAKT1PIK3C3MAP4K4
SCHEMBL3112346 0.83 PIK3CA (0.43) PIK3CAMTORAKT1PIK3C3MAP4K4
SCHEMBL729441 0.83 PIK3CA (0.58) PIK3CAAKT1PIK3C3MAPK10ALOX5AP
SCHEMBL3113694 0.82 PIK3CA (0.43) PIK3CAMTORAKT1
SCHEMBL731357 0.81 PIK3CA (0.77) PIK3CAMTORAKT1PIK3C3MAPK10
SCHEMBL3074529 0.79 PIK3CA (0.47) PIK3CAAKT1PIK3C3ALOX5APFEN1
SCHEMBL3120579 0.79 PIK3CA (0.42) PIK3CAMTORAKT1PIK3C3MAPK10
SCHEMBL731719 0.75 PIK3CA (0.64) PIK3CAMTORAKT1PIK3C3ALOX5AP

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
US-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US disclosed
WO-2008157191-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO 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 (2 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-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, AKT3 PIK3CA 18/4885MTOR 150/4885AKT1 77/4885
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, AKT3 PIK3CA 18/4885MTOR 150/4885AKT1 77/4885

“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.