SCHEMBL1633774

SCHEMBL1633774

C#Cc1cc(OC2CCN(C(C)C)CC2)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 4/20 0.41
CA2 P00918 4/20 0.41
CDK2 P24941 8/20 0.40
CDK1 P06493 6/20 0.40
CDK9 P50750 6/20 0.40
CCNA2 P20248 4/20 0.40
CDK4 P11802 4/20 0.40
CDK6 Q00534 3/20 0.40
PDE5A O76074 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
IKBKB O14920 2/20 0.39
CCNA1 P78396 1/20 0.39
CCNT1 O60563 5/20 0.38
CCNE1 P24864 4/20 0.38
CDK5R1 Q15078 4/20 0.38
CCND1 P24385 3/20 0.38
CDK7 P50613 3/20 0.38

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
SCHEMBL12764673 0.88 JAK2 (0.37) CDK2CDK1CDK4JAK2JAK1
SCHEMBL1633346 0.87 CDK2 (0.43) STK4CA2CDK2CDK1CDK9
SCHEMBL1631022 0.85 JAK2 (0.54) STK4CA2CDK2CDK1CDK9
SCHEMBL1633244 0.85 PDE5A (0.43) STK4CA2CDK2CDK1CDK9
SCHEMBL1633275 0.85 CDK4 (0.50) CDK2CDK1CCNA2CDK4JAK2
SCHEMBL13498359 0.82 PDE5A (0.45) STK4CA2CDK2CDK1CDK9
SCHEMBL1632485 0.82 STK4 (0.43) STK4CA2CDK2CDK1CDK9
SCHEMBL1571507 0.81 CA2 (0.48) STK4CA2CDK2CDK1CDK9
SCHEMBL1570742 0.80 CA2 (0.50) STK4CA2CDK2CDK1CDK9
SCHEMBL1633297 0.79 TBK1 (0.47) CDK2CDK1CDK9CCNA2CDK4

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 9 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-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 STK4 66/4885CA2 3577/4885CDK2 29/4885

“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.