SCHEMBL1633372

SCHEMBL1633372

Nc1ncc(-c2cccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc23)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.53
MAPK10 P53779 3/20 0.52
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA9 Q16790 6/20 0.51
CA12 O43570 3/20 0.51
CA4 P22748 3/20 0.47
CCNT1 O60563 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CDK2 P24941 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
CCNH P51946 1/20 0.47
AURKA O14965 2/20 0.47
AURKB Q96GD4 2/20 0.47
PIK3CD O00329 1/20 0.47
DCLK1 O15075 1/20 0.47
PIK3C2G O75747 1/20 0.47
PIK3CG P48736 1/20 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
SCHEMBL1631911 0.89 MAPK10 (0.55) IKBKBMAPK10CA1CA2CA9
SCHEMBL1631112 0.88 IKBKB (0.59) IKBKBMAPK10CA1CA2CA9
SCHEMBL12724196 0.86 IKBKB (0.51) IKBKBMAPK10CA1CA2CA9
SCHEMBL1632977 0.86 IKBKB (0.53) IKBKBMAPK10CA1CA2CA9
SCHEMBL1633248 0.86 IKBKB (0.53) IKBKBMAPK10CA1CA2CA9
SCHEMBL1632468 0.85 MEN1 (0.55) IKBKBMAPK10CA1CA2CA9
SCHEMBL1632522 0.84 DKK1 (0.51) IKBKBMAPK10CA1CA2CA9
SCHEMBL1632225 0.83 PTK2 (0.49) IKBKBMAPK10CA1CA2CA9
SCHEMBL1633190 0.83 IKBKB (0.50) IKBKBMAPK10CA1CA2CA9
SCHEMBL1633184 0.83 IKBKB (0.50) IKBKBMAPK10CA1CA2CA9

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 980/4885MAPK10 402/4885CA1 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.