SCHEMBL1633835

SCHEMBL1633835

NS(=O)(=O)c1ccc(Nc2ncc3cccc(CN4CCCC4)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.47
▸ CA2 P00918 5/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CDK1 P06493 9/20 0.47
▸ CDK9 P50750 9/20 0.47
▸ CCNT1 O60563 8/20 0.47
▸ CDK2 P24941 8/20 0.47
▸ CDK7 P50613 6/20 0.47
▸ CCNB1 P14635 5/20 0.47
▸ CCNH P51946 3/20 0.47
▸ NUAK1 O60285 2/20 0.47
▸ STK16 O75716 2/20 0.47
▸ NTRK1 P04629 2/20 0.47
▸ CSNK2A2 P19784 2/20 0.47
▸ TYK2 P29597 2/20 0.47
▸ AAK1 Q2M2I8 2/20 0.47
▸ BMP2K Q9NSY1 2/20 0.47
▸ TBK1 Q9UHD2 2/20 0.47

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
SCHEMBL1632397 0.91 TBK1 (0.57) IKBKBCA2CA1CA9CDK1
SCHEMBL1633031 0.91 FGFR4 (0.47) IKBKBCA2CA1CA9CDK1
SCHEMBL1632154 0.88 CDK2 (0.46) IKBKBCA2CA1CA9CDK1
SCHEMBL1633321 0.88 CA1 (0.48) IKBKBCA2CA1CA9CA4
SCHEMBL1631354 0.87 TYK2 (0.54) IKBKBCA2CA1CA9CDK1
SCHEMBL1633709 0.86 SYK (0.47) IKBKBCA2CDK1CDK9CCNT1
SCHEMBL1633063 0.85 IKBKB (0.53) IKBKBCA2CA1CA9CA4
SCHEMBL1632711 0.85 CA2 (0.46) IKBKBCA2CA1CA9CA4
SCHEMBL1633356 0.83 CDK1 (0.44) IKBKBCA2CDK1CDK9CDK2
SCHEMBL1633514 0.83 CDK1 (0.44) IKBKBCA2CDK1CDK9CDK2

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 980/4885CA2 3577/4885CA1 4702/4885

“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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