SCHEMBL1634941

SCHEMBL1634941

CC(C)(C)OC(=O)Nc1ccc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.49
SYK P43405 2/20 0.46
CA2 P00918 7/20 0.45
CA1 P00915 5/20 0.45
CA9 Q16790 4/20 0.45
CA12 O43570 3/20 0.45
CDK1 P06493 3/20 0.43
CDK2 P24941 3/20 0.43
CDK9 P50750 3/20 0.43
CCNT1 O60563 2/20 0.43
CDK7 P50613 2/20 0.43
CCNH P51946 2/20 0.43
CCNB1 P14635 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL1633451 0.85 CA2 (0.58) IKBKBSYKCA2CA1CA9
SCHEMBL1570959 0.79 CDK2 (0.50) IKBKBSYKCA2CA1CA9
SCHEMBL27780313 0.78 IKBKB (0.50) IKBKBSYKCA2CA1CA9
SCHEMBL1631544 0.78 CDK1 (0.51) IKBKBSYKCA2CA1CA9
SCHEMBL1633099 0.77 IKBKB (0.65) IKBKBCA2CA1CA9CA12
SCHEMBL1633518 0.77 SYK (0.53) IKBKBSYKCA2CA1CA9
SCHEMBL1632704 0.77 CDK2 (0.50) IKBKBSYKCA2CA1CA9
SCHEMBL1185689 0.77 CA1 (0.66) CA2CA1CA9CA12CA14
SCHEMBL1632476 0.77 MAP3K5 (0.57) IKBKBSYKCA2CA1CA9
SCHEMBL1633839 0.77 CDK2 (0.52) IKBKBSYKCA2CA1CA9

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 5 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-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-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 980/4885SYK 4204/4885CA2 3577/4885

“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.