SCHEMBL1632161

SCHEMBL1632161

NS(=O)(=O)c1cccc(Nc2ncc3cccc(O)c3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 11/20 0.59
CDK2 P24941 11/20 0.59
CCNT1 O60563 8/20 0.59
CCNB1 P14635 8/20 0.59
CDK9 P50750 8/20 0.59
CDK5 Q00535 6/20 0.59
CCNE1 P24864 5/20 0.59
CCNA2 P20248 5/20 0.59
CDK5R1 Q15078 3/20 0.59
FLT3 P36888 2/20 0.59
CCND3 P30281 1/20 0.59
CDK6 Q00534 1/20 0.59
JAK3 P52333 5/20 0.57
LYN P07948 4/20 0.57
SYK P43405 4/20 0.57
EGFR P00533 4/20 0.57
AURKA O14965 4/20 0.57
DCLK1 O15075 4/20 0.57
NTRK1 P04629 4/20 0.57
AURKB Q96GD4 4/20 0.57

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 0.87 CDK1 (0.53) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL1633964 0.81 SYK (0.57) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL1632131 0.80 BMPR2 (0.52) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL11296004 0.80 CDK2 (0.52) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL13373485 0.79 CDK2 (0.53) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL2438258 0.79 CDK1 (0.53) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL11294980 0.78 CDK2 (0.52) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL11297311 0.77 CDK2 (0.54) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL4005818 0.77 JAK3 (0.71) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL11295987 0.76 CDK1 (0.69) CDK1CDK2CCNT1CCNB1CDK9

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 CDK1 83/4885CDK2 29/4885CCNT1 919/4885

“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.