SCHEMBL1635629

SCHEMBL1635629

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.55
CCNA2 P20248 2/20 0.55
CCNA1 P78396 2/20 0.55
IKBKB O14920 3/20 0.50
CCNT1 O60563 2/20 0.50
CDK1 P06493 2/20 0.50
CCNB1 P14635 2/20 0.50
CDK7 P50613 2/20 0.50
CDK9 P50750 2/20 0.50
CCNH P51946 2/20 0.50
CA2 P00918 10/20 0.49
CA1 P00915 9/20 0.49
CA9 Q16790 9/20 0.49
CA12 O43570 7/20 0.49
CA4 P22748 3/20 0.47
CA14 Q9ULX7 3/20 0.47
CA6 P23280 2/20 0.47
CA7 P43166 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA5A P35218 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
SCHEMBL1633147 0.83 CDK1 (0.53) CDK2IKBKBCCNT1CDK1CCNB1
SCHEMBL1634277 0.80 SYK (0.52) CDK2IKBKBCCNT1CDK1CCNB1
SCHEMBL1631112 0.79 IKBKB (0.59) CDK2CCNA2IKBKBCCNT1CDK1
SCHEMBL1632497 0.78 AURKA (0.55) CDK2CCNA2IKBKBCCNT1CDK1
SCHEMBL13498245 0.78 CDK2 (0.48) CDK2CCNA2CCNA1IKBKBCCNT1
SCHEMBL1634576 0.78 IKBKB (0.58) CDK2CCNA2IKBKBCCNT1CDK1
SCHEMBL1632977 0.77 IKBKB (0.53) CDK2CCNA2IKBKBCCNT1CDK1
SCHEMBL1633372 0.77 IKBKB (0.53) CDK2IKBKBCCNT1CDK1CCNB1
SCHEMBL1633248 0.77 IKBKB (0.53) CDK2IKBKBCCNT1CDK1CCNB1
SCHEMBL1633859 0.77 CCNT1 (0.49) CDK2IKBKBCCNT1CDK1CCNB1

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 11 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
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 CDK2 29/4885CCNA2 731/4885CCNA1 608/4885

“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.