SCHEMBL1631108

SCHEMBL1631108

NS(=O)(=O)c1ccc(Nc2ncc3cccc(-c4ccnc(N5CCOCC5)c4)c3n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMG1 Q96Q15 8/20 0.70
▸ CDK1 P06493 4/20 0.62
▸ CDK2 P24941 4/20 0.62
▸ MTOR P42345 3/20 0.62
▸ JAK2 O60674 3/20 0.55
▸ JAK3 P52333 1/20 0.52
▸ MAPK10 P53779 5/20 0.51
▸ JUN P05412 4/20 0.51
▸ MAPK8 P45983 4/20 0.51
▸ LRRK2 Q5S007 1/20 0.51
▸ CA12 O43570 3/20 0.51
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ CA9 Q16790 3/20 0.51
▸ FLT3 P36888 1/20 0.51

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
SCHEMBL1632085 0.90 SMG1 (0.62) SMG1CDK1CDK2MTORJAK2
SCHEMBL12724192 0.89 SMG1 (0.54) SMG1CDK1CDK2MTORJAK2
SCHEMBL1633868 0.88 MAPK10 (0.57) SMG1CDK1CDK2MTORJAK2
SCHEMBL1633189 0.85 SMG1 (0.50) SMG1CDK1CDK2MTORJAK2
SCHEMBL1633017 0.84 SMG1 (0.72) SMG1CDK1CDK2MTORJAK2
SCHEMBL1632522 0.81 DKK1 (0.51) CDK1CDK2MAPK10MAPK8CA12
SCHEMBL1631949 0.80 DKK1 (0.50) CDK1CDK2MAPK10CA12CA1
SCHEMBL1634316 0.80 TBK1 (0.57) SMG1JAK2JAK3MAPK10JUN
SCHEMBL1634505 0.79 TBK1 (0.55) SMG1CDK1JAK2JAK3MAPK10
SCHEMBL1633314 0.79 MAPK10 (0.49) SMG1CDK1CDK2MTORJAK2

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 83/4885CDK2 29/4885

“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.

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