SCHEMBL1632091

SCHEMBL1632091

NS(=O)(=O)c1ccc(Nc2ncc3c(Br)ccc(OC4CCNCC4)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.47
CHUK O15111 3/20 0.47
AKT1 P31749 1/20 0.47
ROCK1 Q13464 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
CDK1 P06493 5/20 0.45
CDK2 P24941 5/20 0.45
CDK7 P50613 5/20 0.45
CDK9 P50750 5/20 0.45
CCNT1 O60563 4/20 0.45
CCNH P51946 4/20 0.45
CCNB1 P14635 4/20 0.45
IGF1R P08069 1/20 0.45
SYK P43405 2/20 0.43
CA2 P00918 6/20 0.42
STK4 Q13043 1/20 0.42
CA1 P00915 3/20 0.41

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
SCHEMBL1633855 0.90 JAK1 (0.48) IKBKBCHUKAKT1ROCK1JAK2
SCHEMBL1633499 0.87 BRD4 (0.46) JAK2JAK1TYK2JAK3CDK1
SCHEMBL1633607 0.87 JAK2 (0.51) IKBKBCHUKJAK2JAK1TYK2
SCHEMBL1634788 0.87 IKBKB (0.44) IKBKBCHUKAKT1ROCK1JAK2
SCHEMBL1632510 0.85 IGF1R (0.51) IKBKBCHUKJAK2JAK1TYK2
SCHEMBL1633531 0.85 IKBKB (0.47) IKBKBCHUKAKT1ROCK1JAK2
SCHEMBL1633545 0.84 JAK2 (0.65) IKBKBCHUKAKT1ROCK1JAK2
SCHEMBL1633288 0.84 CDK4 (0.54) JAK2JAK1TYK2JAK3CDK1
SCHEMBL1631902 0.84 IKBKB (0.48) IKBKBCHUKAKT1ROCK1JAK2
SCHEMBL1633008 0.83 CDK1 (0.46) IKBKBCHUKAKT1ROCK1JAK2

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 IKBKB 980/4885CHUK 427/4885AKT1 244/4885

“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.