SCHEMBL1631949

SCHEMBL1631949

NS(=O)(=O)c1ccc(Nc2ncc3cccc(-c4ccnc(F)c4)c3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 1/20 0.50
GSK3B P49841 1/20 0.50
MAPK10 P53779 1/20 0.50
IKBKB O14920 8/20 0.49
NTRK1 P04629 1/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
CA12 O43570 3/20 0.46
SYK P43405 1/20 0.46
CCNT1 O60563 2/20 0.45
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
CDK9 P50750 2/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
CA4 P22748 2/20 0.45
CCNB2 O95067 1/20 0.45
CCNE2 O96020 1/20 0.45
CDK5 Q00535 1/20 0.45

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
SCHEMBL1632522 0.88 DKK1 (0.51) DKK1GSK3BMAPK10IKBKBCA1
SCHEMBL1632977 0.86 IKBKB (0.53) DKK1GSK3BMAPK10IKBKBNTRK1
SCHEMBL1633248 0.86 IKBKB (0.53) DKK1GSK3BMAPK10IKBKBCA1
SCHEMBL1632777 0.85 IKBKB (0.50) DKK1GSK3BMAPK10IKBKBCA1
SCHEMBL12724196 0.84 IKBKB (0.51) DKK1GSK3BMAPK10IKBKBNTRK1
SCHEMBL1631112 0.83 IKBKB (0.59) DKK1GSK3BMAPK10IKBKBCA1
SCHEMBL1632468 0.83 MEN1 (0.55) DKK1GSK3BMAPK10IKBKBCA1
SCHEMBL1632093 0.82 PTK2 (0.56) DKK1GSK3BMAPK10IKBKBCA1
SCHEMBL1633372 0.81 IKBKB (0.53) DKK1GSK3BMAPK10IKBKBNTRK1
SCHEMBL1633262 0.81 IKBKB (0.49) DKK1GSK3BIKBKBNTRK1CA1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 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 (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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 DKK1 1228/4885GSK3B 453/4885MAPK10 402/4885

“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.