SCHEMBL1633494

SCHEMBL1633494

NS(=O)(=O)c1ccc(Nc2ncc3cccc(-c4ccc5c(c4)CCNC5=O)c3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.54
PIM2 Q9P1W9 2/20 0.54
IKBKB O14920 12/20 0.49
DKK1 O94907 1/20 0.46
GSK3B P49841 1/20 0.46
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA12 O43570 2/20 0.45
CA4 P22748 1/20 0.45
JAK2 O60674 1/20 0.42
BRD4 O60885 1/20 0.42
PIK3CD O00329 1/20 0.42
AURKA O14965 1/20 0.42
DCLK1 O15075 1/20 0.42
PIK3C2G O75747 1/20 0.42
PIK3CG P48736 1/20 0.42
MAPK7 Q13164 1/20 0.42
LRRK2 Q5S007 1/20 0.42
AURKB Q96GD4 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
SCHEMBL1633110 0.89 IKBKB (0.47) PIM1PIM2IKBKBDKK1GSK3B
SCHEMBL1632840 0.85 IKBKB (0.48) IKBKBDKK1GSK3BCA1CA2
SCHEMBL1633082 0.83 IKBKB (0.45) PIM1PIM2IKBKBDKK1GSK3B
SCHEMBL1632692 0.80 IKBKB (0.47) IKBKBDKK1GSK3BCA1CA2
SCHEMBL1632977 0.80 IKBKB (0.53) PIM1IKBKBDKK1GSK3BCA1
SCHEMBL13498293 0.79 IKBKB (0.41) PIM1PIM2IKBKBDKK1GSK3B
SCHEMBL1632522 0.78 DKK1 (0.51) IKBKBDKK1GSK3BCA1CA2
SCHEMBL12724196 0.78 IKBKB (0.51) IKBKBDKK1GSK3BCA1CA2
SCHEMBL1633248 0.77 IKBKB (0.53) IKBKBDKK1GSK3BCA1CA2
SCHEMBL1631112 0.77 IKBKB (0.59) IKBKBDKK1GSK3BCA1CA2

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 4 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

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 PIM1 395/4885PIM2 440/4885IKBKB 980/4885

“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.