SCHEMBL1633189

SCHEMBL1633189

NS(=O)(=O)c1ccc(Nc2ncc3cccc(-c4ccnc(N5CCNC(=O)C5)c4)c3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMG1 Q96Q15 6/20 0.50
CDK1 P06493 6/20 0.46
MTOR P42345 5/20 0.46
CDK2 P24941 5/20 0.46
JAK2 O60674 2/20 0.43
BRD4 O60885 1/20 0.43
IKBKB O14920 4/20 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
CHUK O15111 1/20 0.42
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
CDK7 P50613 2/20 0.41
CCNB1 P14635 1/20 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
SCHEMBL1633022 0.89 MAPK10 (0.44) SMG1CDK1MTORJAK2BRD4
SCHEMBL1631108 0.85 SMG1 (0.70) SMG1CDK1MTORCDK2JAK2
SCHEMBL1632085 0.85 SMG1 (0.62) SMG1CDK1MTORCDK2JAK2
SCHEMBL12724192 0.84 SMG1 (0.54) SMG1CDK1MTORCDK2JAK2
SCHEMBL1632740 0.80 CYP11B2 (0.42) CDK1CDK2JAK2BRD4IKBKB
SCHEMBL1632843 0.80 IKBKB (0.42) SMG1CDK1MTORCDK2JAK2
SCHEMBL1632747 0.80 CA1 (0.41) SMG1CDK1MTORCDK2JAK2
SCHEMBL1632821 0.79 MTOR (0.49) SMG1CDK1MTORCDK2JAK2
SCHEMBL1632522 0.78 DKK1 (0.51) CDK1CDK2IKBKBCCNT1CDK9
SCHEMBL1631949 0.78 DKK1 (0.50) CDK1CDK2IKBKBAURKAAURKB

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 SMG1 1001/4885CDK1 83/4885MTOR 82/4885

“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.