SCHEMBL1633261

SCHEMBL1633261

Nc1ccc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.55
CA2 P00918 10/20 0.54
CA1 P00915 9/20 0.54
CA9 Q16790 9/20 0.54
CA12 O43570 4/20 0.54
CDK1 P06493 3/20 0.52
CCNB1 P14635 2/20 0.52
CDK2 P24941 2/20 0.52
CCNT1 O60563 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52
CCNH P51946 1/20 0.52
CA4 P22748 4/20 0.49
CA14 Q9ULX7 3/20 0.49
CA6 P23280 2/20 0.49
CA7 P43166 2/20 0.49
CA13 Q8N1Q1 2/20 0.49
CA5A P35218 1/20 0.49
DKK1 O94907 1/20 0.48
GSK3B P49841 1/20 0.48

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
SCHEMBL1571117 0.90 IKBKB (0.55) IKBKBCA2CA1CA9CA12
SCHEMBL1631544 0.86 CDK1 (0.51) IKBKBCA2CA1CA9CA12
SCHEMBL1634389 0.83 IKBKB (0.49) IKBKBCA2CA1CA9CA12
SCHEMBL1632704 0.83 CDK2 (0.50) IKBKBCA2CA1CA9CA12
SCHEMBL1633099 0.83 IKBKB (0.65) IKBKBCA2CA1CA9CA12
SCHEMBL1633518 0.83 SYK (0.53) IKBKBCA2CA1CA9CA12
SCHEMBL1634576 0.82 IKBKB (0.58) IKBKBCA2CA1CA9CA12
SCHEMBL13498325 0.82 IKBKB (0.54) IKBKBCA2CA1CA9CA12
SCHEMBL1633611 0.82 SYK (0.54) IKBKBCA2CA9CDK1CCNB1
SCHEMBL1633521 0.82 BRAF (0.54) IKBKBCDK1CCNB1CDK2CCNT1

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 10 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
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO 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.